UCSF

ZINC42449288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.40 3.6 -45.68 3 3 1 44 225.356 5
Mid Mid (pH 6-8) 1.40 5.36 -119.56 4 3 2 45 226.364 5

Activity (Go SEA)

Rings

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