UCSF

ZINC42916012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.61 7.06 -110.55 4 3 2 47 249.333 4
Hi High (pH 8-9.5) 1.61 6.28 -6.39 2 3 0 44 247.317 4
Mid Mid (pH 6-8) 1.61 6.64 -53.3 3 3 1 45 248.325 4

Activity (Go SEA)

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