| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-[(3S)-tetrahydrothiophen-3-yl]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) | -0.35 | -0.25 | -57.59 | 3 | 4 | 1 | 65 | 279.451 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.35 | -0.84 | -11.78 | 2 | 4 | 0 | 63 | 278.443 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.35 | 1.8 | -138.07 | 4 | 4 | 2 | 66 | 280.459 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
