UCSF

ZINC43446537

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 1.33 6.72 -102.3 3 4 2 47 218.341 8
Hi High (pH 8-9.5) 1.33 3.05 -5.03 1 4 0 42 216.325 8
Mid Mid (pH 6-8) 1.33 5.54 -37.09 2 4 1 43 217.333 8
Mid Mid (pH 6-8) 1.33 4.25 -38.36 2 4 1 46 217.333 8

Activity (Go SEA)

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