UCSF

ZINC52289130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 0.96 2.73 -40.69 4 3 1 57 185.291 3
Mid Mid (pH 6-8) 0.96 2.43 -5.01 3 3 0 55 184.283 3

Activity (Go SEA)

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