UCSF

ZINC05740884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 12 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) 1.77 4.2 -6.17 2 3 0 52 179.61 0
Lo Low (pH 4.5-6) 1.77 4.49 -29.44 3 3 1 53 180.618 0
Lo Low (pH 4.5-6) 1.77 0.16 -27.99 3 3 1 53 180.618 0

Activity (Go SEA)

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