UCSF

ZINC22066303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 3.63 5.74 -15.38 2 5 0 75 331.784 3
Hi High (pH 8-9.5) 3.15 5.85 -112.34 0 5 -2 84 329.768 3
Mid Mid (pH 6-8) 3.63 6.76 -46.41 1 5 -1 78 330.776 3

Activity (Go SEA)

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