UCSF

ZINC04228274

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 No

Popular Name: Ecdysone Ecdysone

Find On: PubMed — Wikipedia — Google

CAS Number: 3604-87-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 -0.4 -11.16 5 6 0 118 464.643 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 242°C Indofine
UniProt Database Links CARM1_DROME; CP314_DROME; CUP9_DROME; DDC_DROME; E631_DROME; E74EA_DROME; E74EB_DROME; E74EF_DROVI; E75BA_DROME; E75BB_DROME; E75BC_DROME; E75_CHOFU; E75_GALME; E75_MANSE; E78C_DROME; ECR_AEDAE; ECR_BOMMO; ECR_CHITE; ECR_DROME; ECR_HELVI; ECR_LUCCU; ECR_M ChEBI
PUBCHEM_PATENT_ID EP0120799A1; EP0314406A1; EP0314406B1; EP0338499A2; EP0361645A2; EP0361645B1; EP0369000A1; EP0369000B1; EP0432256A1; EP0432256B1; EP0516590A1; EP0516590B1; EP0538228A1; EP0553607B1; EP0553608B1; EP0598011A1; EP0598011B1; EP0608532A3; EP0615976A1; EP061974 IBM Patent Data
Patent Database Links EP0965644; US2001044151; US2004049037; US2005148665; US2005266457; US2007287731; US2007298499; US2008064741; US2008125465; US2008214627; US2008216184; US2008255210; WO2005017126; WO2006134466; WO2007124171; WO2008124749 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )