UCSF

ZINC21530979

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 Yes

Popular Name: (6S)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-isopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-d]pyrazine-2 (6S)-N-[2-(4-ethylpiperazin-1-yl…

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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) 0.85 4.45 -46.68 3 10 1 104 462.619 9 ↓
Hi High (pH 8-9.5) 0.85 2.14 -19.07 2 10 0 103 461.611 9 ↓
Hi High (pH 8-9.5) 1.10 -3.58 -12.95 2 10 0 110 461.611 9 ↓
Mid Mid (pH 6-8) 0.85 4.47 -50.38 3 10 1 104 462.619 9 ↓
Mid Mid (pH 6-8) 1.10 0.28 -85.2 4 10 2 113 463.627 9 ↓

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

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