UCSF

ZINC24843165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 27 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) 3.67 8.9 -13.17 1 5 0 63 423.314 3
Mid Mid (pH 6-8) 3.67 11.22 -66.54 2 5 1 64 424.322 3

Activity (Go SEA)

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