| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | No |
Popular Name: (2S)-N-methyl-2-methylsulfanyl-N-(1-quinazolin-4-yl-4-piperidyl)propanamide (2S)-N-methyl-2-methylsulfanyl-N…
| 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) | 2.39 | 10.19 | -12.68 | 0 | 5 | 0 | 49 | 344.484 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 10.66 | -37.51 | 1 | 5 | 1 | 51 | 345.492 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 10.66 | -38.86 | 1 | 5 | 1 | 51 | 345.492 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
