UCSF

ZINC41471680

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-1,3-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[3-(4-ethylpiperazin-1-yl)prop…

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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) 0.86 7.09 -47.8 2 7 1 63 318.449 6 ↓
Hi High (pH 8-9.5) 0.86 4.81 -9.43 1 7 0 62 317.441 6 ↓
Mid Mid (pH 6-8) 0.86 7.09 -42.13 2 7 1 63 318.449 6 ↓

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

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