UCSF

ZINC09529237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 25 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) 4.54 -2.37 -10.68 1 4 0 47 419.344 7
Mid Mid (pH 6-8) 4.54 -2.12 -34.8 2 4 1 48 420.352 7

Activity (Go SEA)

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