| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-methyl-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) | -0.12 | 1.91 | -45.58 | 3 | 5 | 1 | 78 | 287.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 0.68 | -50.48 | 3 | 5 | 1 | 78 | 287.405 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | 2.34 | -134.84 | 4 | 5 | 2 | 79 | 288.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
