UCSF

ZINC12148290

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2008 24 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) 1.44 -1.09 -10.33 1 5 0 68 318.38 4
Lo Low (pH 4.5-6) 1.44 -0.98 -39.71 2 5 1 69 319.388 4

Activity (Go SEA)

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