UCSF

ZINC29709940

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 18 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) 2.46 3.53 -6.72 3 5 0 81 250.346 7
Mid Mid (pH 6-8) 2.53 1.93 -5.54 3 5 0 84 250.346 7

Activity (Go SEA)

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