UCSF

ZINC16954338

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 19 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) 0.41 2.86 -49.71 1 6 -1 95 263.273 2
Mid Mid (pH 6-8) 0.41 2.83 -40.34 1 6 -1 95 263.273 2
Mid Mid (pH 6-8) 0.41 3.44 -123.37 0 6 -2 98 262.265 2

Activity (Go SEA)

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