UCSF

ZINC63731815

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 32 No

Popular Name: N-benzyl-N-ethyl-2-[[(6S)-4-imino-3-methyl-5-(m-tolyl)-6H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ace N-benzyl-N-ethyl-2-[[(6S)-4-imin…

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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) 3.20 9.7 -13.38 1 7 0 86 446.58 7 ↓
Lo Low (pH 4.5-6) 3.20 9.63 -42.9 2 7 1 87 447.588 7 ↓

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

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