UCSF

ZINC04097152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 No

CAS Numbers: 5934-56-5 , 5978-95-0 , [5978-95-0]

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) -2.64 -11.02 -8.89 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0341062A2; EP0827406A1; US4987223; US5041541; US5064672; US5106967; US5120563; US6143443; WO1991009537A1; WO1996027379A1; WO1996035239A1 IBM Patent Data

Activity (Go SEA)

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