UCSF

ZINC63958689

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 28 Yes

Popular Name: (5S)-1,4-dimethyl-5-[3-[(2R)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl]-3-oxo-propyl]-2,5-dihydropyra (5S)-1,4-dimethyl-5-[3-[(2R)-2-(…

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) 1.20 2.98 -51.01 0 9 -1 117 384.416 4 ↓
Mid Mid (pH 6-8) 0.74 4.71 -20.54 1 9 0 114 385.424 4 ↓

Activity (Go SEA)

Rings

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

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