UCSF

ZINC41653918

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 3.58 7.04 -51.53 3 1 1 28 234.269 2
Hi High (pH 8-9.5) 3.58 6.72 -3.76 2 1 0 26 233.261 2

Activity (Go SEA)

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