UCSF

ZINC13132376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 2.76 5.24 -16.43 1 6 0 77 301.346 4
Hi High (pH 8-9.5) 2.75 7.64 -46.54 0 6 -1 75 300.338 4
Hi High (pH 8-9.5) 2.04 8.41 -54.94 1 6 -1 82 300.338 3
Mid Mid (pH 6-8) 1.97 8.07 -13.5 1 6 0 76 380.444 6

Activity (Go SEA)

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