UCSF

ZINC69738266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 Yes

Popular Name: (1R)-2-[(2R)-2-methyl-4-(tetrazolo[5,1-f]pyridazin-6-yl)piperazin-1-yl]-1-phenyl-ethanol (1R)-2-[(2R)-2-methyl-4-(tetrazo…

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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) 1.38 4.01 -16.63 1 8 0 83 339.403 4 ↓
Mid Mid (pH 6-8) 1.38 6.17 -60.49 2 8 1 84 340.411 4 ↓

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

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