UCSF

ZINC34354271

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 Yes

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) 3.96 6.23 -3.96 1 1 0 20 212.72 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0247381A2; EP0247381B1; EP0393607A2; EP0393607B1; EP0632031A1; EP0632031B1; EP1000620A1; US5047521; US5145865; US5496853; US6166036 IBM Patent Data

Activity (Go SEA)

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