UCSF

ZINC69511427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 Yes

Popular Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2-ol (2R)-1-(1,3-benzodioxol-5-yloxy)…

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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) 0.40 3.82 -38.06 2 7 1 70 332.38 5 ↓
Hi High (pH 8-9.5) 0.40 3.36 -17.53 1 7 0 69 331.372 5 ↓
Mid Mid (pH 6-8) 0.40 6.1 -108.78 3 7 2 71 333.388 5 ↓
Lo Low (pH 4.5-6) 0.40 5.64 -52.96 2 7 1 70 332.38 5 ↓

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

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