UCSF

ZINC48229955

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 23 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) -0.02 8.38 -12.52 0 6 0 57 316.405 2
Lo Low (pH 4.5-6) -0.02 8.17 -46.6 1 6 1 58 317.413 2

Activity (Go SEA)

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