UCSF

ZINC21530878

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 35 Yes

Popular Name: (6R)-N'-cycloheptyl-5,6-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-7H-pyrazolo[1,5-d]pyrazi (6R)-N'-cycloheptyl-5,6-dimethyl…

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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) 1.50 6.13 -48.53 3 10 1 104 488.657 7 ↓
Hi High (pH 8-9.5) 1.50 3.66 -15.35 2 10 0 103 487.649 7 ↓
Mid Mid (pH 6-8) 1.50 5.99 -51.81 3 10 1 104 488.657 7 ↓

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

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