UCSF

ZINC04095728

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 27 No

Popular Name: SECOLOGANIN SECOLOGANIN

Find On: PubMed — Wikipedia — Google

CAS Number: 19351-63-4

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) -0.75 -7.65 -12.66 4 10 0 151 388.369 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0156267A2; EP0896964A2; US6060601; US6121511; WO1988000968A2; WO1999006566A1; WO1999006581A1; WO1999029159A1; WO2000042200A1; WO2000046383A2 IBM Patent Data
UniProt Database Links STS1_ARATH; STS3_ARATH; STSY_CATRO; STSY_RAUMA; STSY_RAUSE ChEBI

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