UCSF

ZINC13580371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 Yes

Popular Name: (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[4,5-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)sulfanylmethyl]pyrrolid (2S,3S,4R,5S)-2-(4-amino-5H-pyrr…

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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) 0.61 1.84 -54.57 7 7 1 125 376.437 4 ↓
Lo Low (pH 4.5-6) 0.61 2.12 -104.16 8 7 2 126 377.445 4 ↓
Lo Low (pH 4.5-6) 0.61 -1.94 -104.58 8 7 2 126 377.445 4 ↓

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