| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-[[(3S)-tetrahydropyran-3-yl]methyl]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) | -0.24 | -0.54 | -52.3 | 3 | 5 | 1 | 74 | 291.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | -1.26 | -11.34 | 2 | 5 | 0 | 73 | 290.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.24 | 1.28 | -139.13 | 4 | 5 | 2 | 75 | 292.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
