UCSF

ZINC05941246

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 22 No

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) -0.89 -1.55 -57.94 7 9 1 147 327.39 5
Lo Low (pH 4.5-6) -0.89 -5.66 -88.93 8 9 2 148 328.398 5
Lo Low (pH 4.5-6) -0.89 -1.28 -87.61 8 9 2 148 328.398 5

Activity (Go SEA)

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