UCSF

ZINC67966072

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: 3-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyl]-7,10-dimethyl-3,7,10-triazaspiro[5.5]undecane 3-[[2,5-dimethyl-1-(3-pyridyl)py…

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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) 1.89 10.95 -94.18 2 5 2 30 369.557 3 ↓
Hi High (pH 8-9.5) 1.89 8.5 -35.75 1 5 1 29 368.549 3 ↓
Hi High (pH 8-9.5) 1.89 6.79 -5.35 0 5 0 28 367.541 3 ↓
Mid Mid (pH 6-8) 1.89 8.72 -36.69 1 5 1 29 368.549 3 ↓
Mid Mid (pH 6-8) 1.89 9.02 -36.79 1 5 1 29 368.549 3 ↓

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

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