UCSF

ZINC04096169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 Yes

CAS Number: 520-17-2

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) 0.87 -9.05 -9.83 5 6 0 110 290.271 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0316797A2; EP0316797B1; US5410096; US6080920; US6129924; WO1996036716A1; WO2000065073A2 IBM Patent Data

Activity (Go SEA)

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