UCSF

ZINC83329143

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 36 No

Popular Name: 7-[(1R,2E,5R)-2-hydroxyimino-5-[(Z,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-1-[(2R)-2-(3-pyridyl)-1-pipe 7-[(1R,2E,5R)-2-hydroxyimino-5-[…

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) 6.08 11.79 -15.22 2 6 0 86 497.724 14 ↓
Lo Low (pH 4.5-6) 6.08 12.4 -32.9 3 6 1 87 498.732 14 ↓
Lo Low (pH 4.5-6) 6.08 12.53 -31.96 3 6 1 87 498.732 14 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.