UCSF

ZINC21531040

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (6S)-N'-cyclopentyl-6-methyl-N-(2-morpholinoethyl)-4-oxo-5-propyl-7H-pyrazolo[1,5-d]pyrazine-2,6-dic (6S)-N'-cyclopentyl-6-methyl-N-(…

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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) 1.05 2.9 -14.48 2 10 0 109 460.579 8 ↓
Mid Mid (pH 6-8) 1.05 5.25 -50.29 3 10 1 110 461.587 8 ↓

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

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