UCSF

ZINC00469316

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 3.51 7.39 -16.92 2 4 0 58 300.333 5
Lo Low (pH 4.5-6) 3.77 3.97 -27.91 3 4 1 67 301.341 5

Activity (Go SEA)

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