UCSF

ZINC19685541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 0.24 0.83 -57.34 4 5 1 85 273.378 5
Hi High (pH 8-9.5) 0.24 0.45 -13.01 3 5 0 84 272.37 5

Activity (Go SEA)

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