UCSF

ZINC20465492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -0.72 -3.13 -46.36 5 7 1 93 338.428 5
Lo Low (pH 4.5-6) -0.72 -1.33 -115.71 6 7 2 94 339.436 5

Activity (Go SEA)

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