UCSF

ZINC72031599

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2012 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) 3.25 8.91 -51.39 2 4 1 57 274.388 6
Mid Mid (pH 6-8) 3.25 7.13 -11.18 1 4 0 56 273.38 6

Activity (Go SEA)

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