UCSF

ZINC52537434

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 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) -0.37 0.49 -10.82 2 6 0 70 254.334 1
Mid Mid (pH 6-8) -0.37 2.84 -44.1 3 6 1 71 255.342 1

Activity (Go SEA)

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