UCSF

ZINC34681699

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.86 14.59 -47.03 2 6 1 59 466.005 7
Lo Low (pH 4.5-6) 4.86 14.95 -104.31 3 6 2 60 467.013 7

Activity (Go SEA)

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