| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | No |
Popular Name: 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,1-dioxo-thian-4-amine 4-(aminomethyl)-N-(cyclopropylme…
| 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) | 0.25 | 0.71 | -59.03 | 3 | 4 | 1 | 65 | 261.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 0.31 | -10.33 | 2 | 4 | 0 | 63 | 260.403 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 1.92 | -146.8 | 4 | 4 | 2 | 66 | 262.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 2.2 | -44.85 | 3 | 4 | 1 | 65 | 261.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
