UCSF

ZINC64970640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 29 Yes

Popular Name: 5-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-4-one 5-[2-(4-ethylpiperazin-1-yl)-2-o…

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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) 1.13 9.18 -51.11 1 8 1 77 395.487 4 ↓
Mid Mid (pH 6-8) 1.13 6.96 -18.04 0 8 0 76 394.479 4 ↓

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

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