UCSF

ZINC43406730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.10 7.47 -35 4 4 1 68 273.404 6
Mid Mid (pH 6-8) 2.10 8.84 -6.07 3 4 0 66 272.396 6
Lo Low (pH 4.5-6) 2.10 7.92 -87.95 5 4 2 69 274.412 6

Activity (Go SEA)

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