UCSF

ZINC41731446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 11 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 4.31 -31.68 2 3 0 57 157.213 5
Hi High (pH 8-9.5) -0.68 2.99 -44.17 1 3 -1 52 156.205 5

Activity (Go SEA)

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