| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2006 | 12 | No |
Popular Name: [4,5-diamino-6-(sulfanylmethyl)pyrimidin-2-yl]methyl hydrosulfide [4,5-diamino-6-(sulfanylmethyl)p…
| 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) | 0.17 | 0.28 | -7.32 | 4 | 4 | 0 | 78 | 202.308 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 1.36 | -105.95 | 4 | 4 | -2 | 78 | 200.292 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 0.82 | -44.59 | 4 | 4 | -1 | 78 | 201.3 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | 0.82 | -51.13 | 4 | 4 | -1 | 78 | 201.3 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | -3.46 | -29.84 | 5 | 4 | 1 | 79 | 203.316 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 0.54 | -28.45 | 5 | 4 | 1 | 79 | 203.316 | 2 | ↓ |
