UCSF

ZINC42003549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 19 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) 0.68 2.22 -40.62 2 6 1 63 284.409 5
Hi High (pH 8-9.5) 0.68 -0.15 -6.96 1 6 0 61 283.401 5

Activity (Go SEA)

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