UCSF

ZINC42781962

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.30 5.87 -48.22 3 2 1 31 273.322 7
Hi High (pH 8-9.5) 2.30 5.99 -3.44 2 2 0 29 272.314 7

Activity (Go SEA)

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