UCSF

ZINC15272618

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 9 Yes

CAS Number: 33467-73-1

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) 1.74 4.89 -45.01 0 2 -1 40 127.163 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000031211A1 IBM Patent Data

Activity (Go SEA)

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