UCSF

ZINC34349842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 19 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) -4.33 1.64 -72.94 5 9 -1 166 269.237 7
Hi High (pH 8-9.5) -4.33 1.39 -105.18 4 9 -2 164 268.229 7
Hi High (pH 8-9.5) -4.33 1.9 -109.93 4 9 -2 164 268.229 7
Mid Mid (pH 6-8) -4.33 1.82 -98.87 5 9 -1 165 269.237 7
Mid Mid (pH 6-8) -4.33 2.15 -92.37 6 9 0 167 270.245 7
Mid Mid (pH 6-8) -4.33 2.23 -74.57 5 9 -1 166 269.237 7

Activity (Go SEA)

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