UCSF

ZINC19879716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 1.55 2.35 -7.38 3 5 0 90 279.708 0
Hi High (pH 8-9.5) 2.01 1.17 -42.89 2 5 -1 93 278.7 0
Hi High (pH 8-9.5) 2.47 -1.43 -96.39 1 5 -2 96 277.692 0
Mid Mid (pH 6-8) 2.01 0.36 -37.98 2 5 -1 93 278.7 0
Mid Mid (pH 6-8) 2.06 1.3 -42.56 2 5 -1 86 278.7 0
Mid Mid (pH 6-8) 2.52 -0.61 -93.59 1 5 -2 89 277.692 0
Lo Low (pH 4.5-6) 2.06 1.3 -15.2 3 5 0 89 279.708 0

Activity (Go SEA)

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