UCSF

ZINC48784758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 Yes

Popular Name: 3-[3-(cyclopropylamino)propyl]-2H-phthalazine-1,4-dione 3-[3-(cyclopropylamino)propyl]-2…

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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) 1.58 2.87 -55.25 2 5 0 75 259.309 5 ↓
Lo Low (pH 4.5-6) 1.58 2.15 -39.73 3 5 1 72 260.317 5 ↓

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Rings

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

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