In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2006 | 16 | Yes |
Popular Name: 1H-Purine-2,6-dione, 8-[(2-aminoethyl)amino]-3,7-dihydro-3-methyl- (9CI) 1H-Purine-2,6-dione, 8-[(2-amino…
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CAS Number: 476482-39-0
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) | -2.04 | -0.35 | -60.42 | 6 | 8 | 1 | 123 | 225.232 | 3 | ↓ |
Mid Mid (pH 6-8) | -2.04 | 0.12 | -115.71 | 7 | 8 | 2 | 124 | 226.24 | 3 | ↓ |