UCSF

ZINC15020073

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 Yes

CAS Number: 65144-30-1

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) 4.22 7.38 -11.57 1 5 0 65 346.338 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0757628B1; EP0757629B1; US5441850; US5582956; US5631118; US5741630; US5914213; US6004719; US6015907; US6110638 IBM Patent Data

Activity (Go SEA)

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