In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2008 | 31 | No |
Popular Name: adenosine 5'-[gamma-thio]triphosphate adenosine 5'-[gamma-thio]triphos…
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CAS Number: 93839-89-5
93839-89-5; ATPgammaS; Adenosine- 5'- O- (3- thiotriphosphate)
CHEBI:34527; CHEBI:40663; CHEBI:40964; CHEBI:22243; CHEBI:2476
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) | -1.75 | -2.05 | -153.77 | 6 | 17 | -2 | 268 | 521.234 | 8 | ↓ |
Lo Low (pH 4.5-6) | -2.92 | -1.22 | -132.12 | 6 | 17 | -1 | 266 | 522.242 | 8 | ↓ |
Lo Low (pH 4.5-6) | -2.92 | -5.6 | -133.59 | 6 | 17 | -1 | 266 | 522.242 | 8 | ↓ |
Note Type | Comments | Provided By |
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UniProt Database Links | P2RY2_HUMAN; P2RY2_MOUSE; P2RY2_RAT; P2RY6_MOUSE; P2RY6_RAT; RECA_ECOLI | ChEBI |