UCSF

ZINC40835945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 3.94 10.77 -33.79 2 3 1 31 264.352 4
Mid Mid (pH 6-8) 3.94 9.95 -7.75 1 3 0 30 263.344 4

Activity (Go SEA)

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