UCSF

ZINC58546868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 26 No

Popular Name: (3S,4R)-1-[(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]-4-(benzylsulfanylmethyl)pyrrolidin-3-ol (3S,4R)-1-[(7-amino-1H-pyrazolo[…

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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) 1.38 5.25 -42.41 5 7 1 105 371.49 6 ↓
Hi High (pH 8-9.5) 1.38 2.73 -12.45 4 7 0 104 370.482 6 ↓

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

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