UCSF

ZINC40390039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 24 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) 4.45 10.2 -12.89 0 4 0 36 324.424 6
Mid Mid (pH 6-8) 4.45 10.68 -33.3 1 4 1 38 325.432 6

Activity (Go SEA)

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