UCSF

ZINC69517908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 Yes

Popular Name: (5S)-5-[[5-(dimethylamino)-3-isopropyl-1-methyl-pyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quin (5S)-5-[[5-(dimethylamino)-3-iso…

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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) 1.47 6.47 -37.67 3 6 1 67 344.483 5 ↓
Hi High (pH 8-9.5) 1.47 6.36 -11.99 2 6 0 66 343.475 5 ↓
Mid Mid (pH 6-8) 1.47 7.79 -55.59 3 6 1 71 344.483 5 ↓
Lo Low (pH 4.5-6) 1.47 7.96 -114.92 4 6 2 72 345.491 5 ↓

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Rings

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

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