| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(2-pyridylmethyl)thian-3-amine (3S)-3-(aminomethyl)-N-methyl-1,…
| 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) | -0.76 | -0.07 | -51.49 | 3 | 5 | 1 | 78 | 284.405 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | -0.75 | -11.36 | 2 | 5 | 0 | 76 | 283.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | -0.01 | -111.24 | 4 | 5 | 2 | 79 | 285.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
