UCSF

ZINC19361769

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 24 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) 2.44 5.17 -45.66 2 5 1 46 327.404 4
Mid Mid (pH 6-8) 2.44 5.11 -46.91 2 5 1 46 327.404 4
Mid Mid (pH 6-8) 2.44 2.79 -9.79 1 5 0 45 326.396 4

Activity (Go SEA)

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