UCSF

ZINC43252640

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 4.14 5.28 -42.85 3 2 1 31 289.896 7
Hi High (pH 8-9.5) 4.14 4.99 -1.94 2 2 0 29 288.888 7
Mid Mid (pH 6-8) 4.14 6.99 -33.54 3 2 1 30 289.896 7
Mid Mid (pH 6-8) 4.14 7.28 -112.13 4 2 2 32 290.904 7

Activity (Go SEA)

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