UCSF

ZINC59744281

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 19 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) 3.84 10.46 -51.2 0 4 -1 60 270.393 12
Lo Low (pH 4.5-6) 3.84 8.49 -11.61 1 4 0 58 271.401 12

Activity (Go SEA)

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