UCSF

ZINC09529221

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 1.92 -3.46 -14.25 2 6 0 76 349.456 8
Mid Mid (pH 6-8) 1.92 -3.21 -37.74 3 6 1 77 350.464 8

Activity (Go SEA)

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