UCSF

ZINC38827629

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 17 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) 2.30 7.48 -117.91 4 2 2 32 234.387 3
Hi High (pH 8-9.5) 2.30 7.14 -31.99 3 2 1 30 233.379 3
Hi High (pH 8-9.5) 2.30 5.7 -46.47 3 2 1 31 233.379 3

Activity (Go SEA)

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