UCSF

ZINC21531069

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 Yes

Popular Name: (6S)-5-butyl-N'-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-d]pyra (6S)-5-butyl-N'-cyclopentyl-N-[2…

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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) 2.03 6.56 -45.4 3 10 1 104 502.684 10 ↓
Hi High (pH 8-9.5) 2.03 4.2 -13.71 2 10 0 103 501.676 10 ↓
Mid Mid (pH 6-8) 2.03 6.52 -48.63 3 10 1 104 502.684 10 ↓

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

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