UCSF

ZINC55549741

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 33 Yes

Popular Name: N-(4-methylphthalazin-1-yl)-2-[(1S)-1-phenylethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amin N-(4-methylphthalazin-1-yl)-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) 5.34 12.67 -33.03 2 6 1 60 435.555 4 ↓
Mid Mid (pH 6-8) 5.34 12.99 -35.05 2 6 1 60 435.555 4 ↓
Mid Mid (pH 6-8) 5.34 13.11 -71.8 3 6 2 61 436.563 4 ↓
Mid Mid (pH 6-8) 5.34 12.55 -15.32 1 6 0 59 434.547 4 ↓

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Rings

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

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