UCSF

ZINC54418110

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 25 No

Popular Name: 1-methyl-6-[[methyl-[(1S)-1-(3-nitrophenyl)ethyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[methyl-[(1S)-1-(3-n…

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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) 1.34 7.08 -19.29 1 9 0 113 342.359 5 ↓
Mid Mid (pH 6-8) 1.34 9.16 -66 2 9 1 114 343.367 5 ↓
Mid Mid (pH 6-8) 1.79 6.32 -52.14 1 9 0 117 342.359 5 ↓

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

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