UCSF

ZINC35736839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.94 5.37 -41.88 4 3 1 57 275.397 5
Mid Mid (pH 6-8) 1.94 5.08 -5.92 3 3 0 55 274.389 5

Activity (Go SEA)

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