UCSF

ZINC25516710

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 1.89 6.99 -10.71 1 5 0 68 338.436 4
Lo Low (pH 4.5-6) 1.89 7.43 -45.07 2 5 1 69 339.444 4

Activity (Go SEA)

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