UCSF

ZINC16632394

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 30 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) 3.58 8.37 -19.45 1 7 0 85 470.378 9
Mid Mid (pH 6-8) 4.04 9.69 -51.3 1 7 0 89 470.378 9

Activity (Go SEA)

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