UCSF

ZINC69742262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 17 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) 2.28 5.17 -41.15 3 3 1 48 273.809 3
Mid Mid (pH 6-8) 2.28 3.05 -8.82 2 3 0 46 272.801 3

Activity (Go SEA)

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