UCSF

ZINC15941271

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 32 Yes

Popular Name: 2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-pyrrolo[3,4-d]pyridazin-3-yl]-N-(2-morpholinoethyl) 2-[6-[(2-fluorophenyl)methyl]-5,…

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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) 1.27 6.12 -21.95 1 8 0 81 441.507 7 ↓
Mid Mid (pH 6-8) 1.27 8.39 -53.03 2 8 1 83 442.515 7 ↓
Mid Mid (pH 6-8) 1.46 5.82 -43.24 2 8 1 86 442.515 7 ↓

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

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