UCSF

ZINC34667201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 2.47 3.29 -7.49 1 4 0 42 297.37 6
Mid Mid (pH 6-8) 2.47 5.6 -44.19 2 4 1 43 298.378 6

Activity (Go SEA)

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