UCSF

ZINC71589647

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 28 Yes

Popular Name: 2,5-dihydropyrrol-1-yl-[(3R)-1-(1-indan-2-yl-4-piperidyl)-3-piperidyl]methanone 2,5-dihydropyrrol-1-yl-[(3R)-1-(…

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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) 3.05 10.74 -39.83 1 4 1 28 380.556 3 ↓
Lo Low (pH 4.5-6) 3.05 13.24 -112.5 2 4 2 29 381.564 3 ↓

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Rings

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

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