UCSF

ZINC55119053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 Yes

Popular Name: 4-[[[2-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]methylamino]methyl]-2H-phthalazin-1-one 4-[[[2-(2-dimethylaminoethyloxy)…

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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) 2.23 7.8 -134.6 4 7 2 85 384.48 9 ↓
Hi High (pH 8-9.5) 2.23 4.05 -14.97 2 7 0 79 382.464 9 ↓
Mid Mid (pH 6-8) 2.23 6.44 -51.75 3 7 1 81 383.472 9 ↓

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

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