UCSF

ZINC42471191

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) 1.87 7.93 -104.85 3 2 2 21 238.4 5
Mid Mid (pH 6-8) 1.87 6.12 -30.31 2 2 1 20 237.392 5
Mid Mid (pH 6-8) 1.87 6.8 -29.97 2 2 1 16 237.392 5

Activity (Go SEA)

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