UCSF

ZINC44994861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 14 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) -0.27 0.96 -40.3 2 5 1 55 197.262 3
Hi High (pH 8-9.5) -0.27 -0.36 -47.1 2 5 1 59 197.262 3
Lo Low (pH 4.5-6) -0.27 2.17 -117.79 3 5 2 60 198.27 3

Activity (Go SEA)

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