| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: (3S)-3-(aminomethyl)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-[(1S)-1-c…
| 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) | 0.19 | -0.06 | -48.91 | 3 | 5 | 1 | 74 | 305.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | -0.76 | -10.71 | 2 | 5 | 0 | 73 | 304.456 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | 1.59 | -120.83 | 4 | 5 | 2 | 75 | 306.472 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
