UCSF

ZINC53663595

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 Yes

Popular Name: N-methyl-N-phthalazin-1-yl-ethane-1,2-diamine N-methyl-N-phthalazin-1-yl-ethan…

Find On: PubMed — Wikipedia — Google

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) 0.35 4.18 -91.57 4 4 2 58 204.277 3 ↓
Hi High (pH 8-9.5) 0.35 3.64 -10.06 2 4 0 55 202.261 3 ↓
Mid Mid (pH 6-8) 0.35 4.03 -45.98 3 4 1 57 203.269 3 ↓
Mid Mid (pH 6-8) 0.35 4.18 -89.53 4 4 2 58 204.277 3 ↓

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Rings

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

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