UCSF

ZINC17138866

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 28 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) 1.47 4.41 -20.58 3 10 0 149 381.348 6
Ref Reference (pH 7) 1.47 4.55 -18.58 3 10 0 149 381.348 6
Mid Mid (pH 6-8) 1.92 2.79 -38.41 2 10 -1 152 380.34 6
Mid Mid (pH 6-8) 1.92 2.53 -44.57 2 10 -1 152 380.34 6

Activity (Go SEA)

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