UCSF

ZINC26268394

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 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) 0.92 4.1 -14.87 3 6 0 94 292.364 6
Mid Mid (pH 6-8) 1.38 3.26 -50.56 2 6 -1 97 291.356 6

Activity (Go SEA)

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