UCSF

ZINC42779099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.44 4.23 -46.17 3 3 1 48 253.288 6
Hi High (pH 8-9.5) 1.44 3.95 -6.5 2 3 0 46 252.28 6

Activity (Go SEA)

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