UCSF

ZINC12403568

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 20 No

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) 3.44 3.21 -14.88 3 5 0 82 270.288 3
Hi High (pH 8-9.5) 3.44 4.54 -64.39 2 5 -1 85 269.28 3
Hi High (pH 8-9.5) 3.44 3.9 -55.4 2 5 -1 85 269.28 3
Hi High (pH 8-9.5) 3.44 4.92 -112.98 1 5 -2 88 268.272 3
Hi High (pH 8-9.5) 3.44 4.22 -60.22 2 5 -1 85 269.28 3

Activity (Go SEA)

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