UCSF

ZINC41536699

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 Yes

Popular Name: (1S,4R,5S,6S)-6-(6-imidazol-1-ylhexylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(6-imidazol-1-yl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 10.67 -61.06 2 6 0 88 331.416 9 ↓
Mid Mid (pH 6-8) 1.89 10.16 -45.41 1 6 -1 87 330.408 9 ↓
Lo Low (pH 4.5-6) 1.89 8.72 -38.71 3 6 1 85 332.424 9 ↓

Activity (Go SEA)

Rings

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