UCSF

ZINC40778887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 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) 1.09 2.72 -11.82 1 6 0 62 303.362 1
Mid Mid (pH 6-8) 1.09 5.07 -52.71 2 6 1 63 304.37 1

Activity (Go SEA)

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