UCSF

ZINC42451032

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.85 -1.54 -12.61 2 5 0 76 199.254 7
Mid Mid (pH 6-8) -0.85 0.52 -50.51 3 5 1 78 200.262 7

Activity (Go SEA)

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