| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(9H-purin-6-ylsulfanyl)propanamide (2S)-2-cyclopropyl-2-(methylamin…
| 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) | -0.01 | 3.1 | -57.29 | 5 | 7 | 1 | 114 | 293.376 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | 1.89 | -16.87 | 4 | 7 | 0 | 110 | 292.368 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | 2.11 | -42.36 | 3 | 7 | -1 | 108 | 291.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 2.65 | -60.15 | 4 | 7 | 0 | 112 | 292.368 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
