UCSF

ZINC52642086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 22 No

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) 1.29 5.57 -34.23 1 6 0 81 297.314 3
Mid Mid (pH 6-8) 1.36 4.1 -71.67 0 6 -1 87 296.306 3

Activity (Go SEA)

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