UCSF

ZINC53663781

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 Yes

Popular Name: N,N'-dimethyl-N'-phthalazin-1-yl-ethane-1,2-diamine N,N'-dimethyl-N'-phthalazin-1-yl…

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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) 1.33 6.05 -87.14 3 4 2 47 218.304 4 ↓
Hi High (pH 8-9.5) 1.33 4.48 -10.12 1 4 0 41 216.288 4 ↓
Mid Mid (pH 6-8) 1.33 5.91 -41.64 2 4 1 46 217.296 4 ↓
Mid Mid (pH 6-8) 1.33 6.06 -85.29 3 4 2 47 218.304 4 ↓

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

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