UCSF

ZINC61418589

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 18 Yes

Popular Name: (S)-(1-methylimidazol-2-yl)-(8-quinolyl)methanamine (S)-(1-methylimidazol-2-yl)-(8-q…

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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) 1.02 5.69 -28.59 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.02 4.92 -9.98 2 4 0 57 238.294 2 ↓
Lo Low (pH 4.5-6) 1.02 6.01 -108.46 4 4 2 60 240.31 2 ↓
Lo Low (pH 4.5-6) 1.02 5.24 -40.94 3 4 1 58 239.302 2 ↓

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Rings

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

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