UCSF

ZINC53649251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 0.87 3.56 -29.28 2 3 1 29 199.318 6
Mid Mid (pH 6-8) 0.87 5.44 -101.25 3 3 2 30 200.326 6

Activity (Go SEA)

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