UCSF

ZINC05392751

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 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) 1.38 5.06 -57.68 1 7 -1 103 353.811 6
Mid Mid (pH 6-8) 1.38 5.36 -16.8 2 7 0 101 354.819 6

Activity (Go SEA)

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