UCSF

ZINC37979092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 0.99 5.67 -13.68 1 4 0 54 228.299 5
Mid Mid (pH 6-8) 0.99 7.03 -61.04 2 4 1 58 229.307 5
Mid Mid (pH 6-8) 0.99 6.16 -34.85 2 4 1 55 229.307 5
Lo Low (pH 4.5-6) 0.99 7.52 -126.41 3 4 2 59 230.315 5

Activity (Go SEA)

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