UCSF

ZINC53125841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 0.68 -1.73 -37.81 4 5 1 70 287.424 6
Mid Mid (pH 6-8) 0.68 0.62 -104.38 5 5 2 71 288.432 6

Activity (Go SEA)

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