UCSF

ZINC69665876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 23 Yes

Popular Name: 3-[[1-[(2R)-2-hydroxypropyl]-4-piperidyl]methyl-methyl-amino]-5,6-dimethyl-pyridazine-4-carbonitrile 3-[[1-[(2R)-2-hydroxypropyl]-4-p…

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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) 1.66 7.11 -34.05 2 6 1 77 318.445 5 ↓
Lo Low (pH 4.5-6) 1.66 7.23 -84.99 3 6 2 79 319.453 5 ↓

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

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