UCSF

ZINC44510359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) -0.07 3.67 -102.06 4 3 2 41 200.326 4
Mid Mid (pH 6-8) -0.07 1.2 -44.09 3 3 1 40 199.318 4

Activity (Go SEA)

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