UCSF

ZINC54796769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 17 Yes

Popular Name: 1-[(2R)-2-[(4-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one 1-[(2R)-2-[(4-methyl-1H-imidazol…

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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) 0.03 5.35 -35.56 3 5 1 66 237.327 5 ↓
Hi High (pH 8-9.5) 0.03 4.04 -15.69 2 5 0 61 236.319 5 ↓
Mid Mid (pH 6-8) 0.03 5.79 -94.94 4 5 2 67 238.335 5 ↓
Mid Mid (pH 6-8) 0.03 4.47 -35.3 3 5 1 62 237.327 5 ↓

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

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