UCSF

ZINC34836368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 5.24 18.01 -119.75 2 5 2 30 479.688 9
Mid Mid (pH 6-8) 5.24 15.78 -37.45 1 5 1 29 478.68 9

Activity (Go SEA)

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