UCSF

ZINC12429052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 30 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) 2.28 1.11 -98.59 1 9 -2 142 447.391 6
Hi High (pH 8-9.5) 2.65 3.65 -88.34 1 9 -2 138 447.391 6
Mid Mid (pH 6-8) 2.28 0.33 -44.9 2 9 -1 139 448.399 6
Mid Mid (pH 6-8) 2.65 3.45 -48.88 2 9 -1 136 448.399 6

Activity (Go SEA)

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