UCSF

ZINC34541510

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) -5.18 2.67 -263.68 3 10 -3 191 289.22 10
Mid Mid (pH 6-8) -5.18 1.52 -169.42 4 10 -2 189 290.228 10
Mid Mid (pH 6-8) -5.18 1.47 -156.72 4 10 -2 189 290.228 10
Lo Low (pH 4.5-6) -5.18 -0.51 -84 5 10 -1 186 291.236 10
Lo Low (pH 4.5-6) -5.18 0.37 -78.78 6 10 0 187 292.244 10

Activity (Go SEA)

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