UCSF

ZINC51318505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 34 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) 5.12 10.94 -8.96 2 7 0 74 483.012 7
Mid Mid (pH 6-8) 5.12 13.26 -49.5 3 7 1 75 484.02 7

Activity (Go SEA)

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