UCSF

ZINC04873064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 28 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) 4.84 11.3 -17.37 2 6 0 72 394.862 4
Lo Low (pH 4.5-6) 4.84 11.77 -31.96 3 6 1 73 395.87 4

Activity (Go SEA)

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