UCSF

ZINC67726897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 21 Yes

Popular Name: 7-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one 7-[[(3S)-3-hydroxypyrrolidin-1-y…

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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) 0.25 1.96 -40.97 3 6 1 76 289.311 2 ↓
Hi High (pH 8-9.5) 0.25 -0.54 -11.89 2 6 0 75 288.303 2 ↓

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

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