UCSF

ZINC40988934

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 0.57 3.1 -49.04 3 3 1 55 196.318 3
Mid Mid (pH 6-8) 0.57 4.62 -136.61 4 3 2 56 197.326 3

Activity (Go SEA)

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