UCSF

ZINC20763103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 25 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) -0.21 2.7 -49.1 5 8 1 117 342.379 6
Mid Mid (pH 6-8) -0.02 -0.42 -23.06 4 8 0 119 341.371 6
Mid Mid (pH 6-8) -0.21 2.21 -21.08 4 8 0 116 341.371 6
Mid Mid (pH 6-8) -0.21 2.24 -21.44 4 8 0 116 341.371 6
Mid Mid (pH 6-8) -0.02 -0.44 -22.52 4 8 0 119 341.371 6

Activity (Go SEA)

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