UCSF

ZINC80452997

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2012 22 Yes

Popular Name: SANGIVAMYCIN SANGIVAMYCIN

Find On: PubMed — Wikipedia — Google

CAS Number: 18417-89-5

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) -3.27 -6.28 -16.31 7 10 0 170 309.282 3 ↓
Mid Mid (pH 6-8) -3.27 -6.34 -27.81 8 10 1 172 310.29 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0110955A1; EP0110955B1; EP0192315A1; EP0221588A2; EP0222425A2; EP0224283A2; EP0238672A1; EP0262696A2; EP0327766A2; EP0327766B1; EP0335545A2; EP0335545B2; EP0414730A1; EP0414730B1; EP0539493A1; EP0539493B1; EP0746559A1; EP0755255A1; EP0783292A1; US414085 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.