UCSF

ZINC43254134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 1.89 5.88 -52.07 3 4 1 51 330.905 4
Hi High (pH 8-9.5) 1.89 5.26 -8.24 2 4 0 50 329.897 4
Mid Mid (pH 6-8) 1.89 7.09 -43.77 3 4 1 51 330.905 4
Lo Low (pH 4.5-6) 1.89 7.39 -130.24 4 4 2 52 331.913 4

Activity (Go SEA)

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