UCSF

ZINC67954751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 3-[2-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]ethyl]-2H-phthalazine-1,4-dione 3-[2-[[(1S)-2-imidazol-1-yl-1-me…

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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) 0.95 4.54 -57.72 2 7 0 92 313.361 6 ↓
Hi High (pH 8-9.5) 0.95 3.3 -50.9 1 7 -1 88 312.353 6 ↓
Lo Low (pH 4.5-6) 0.95 5.05 -100.45 3 7 1 94 314.369 6 ↓

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

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