UCSF

ZINC44510877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 1.27 5.17 -101.69 4 3 2 42 230.396 8
Hi High (pH 8-9.5) 1.27 3.81 -34.38 3 3 1 38 229.388 8
Hi High (pH 8-9.5) 1.27 3.93 -37.53 3 3 1 38 229.388 8

Activity (Go SEA)

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