| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: (2S,3R)-2-(2,5-dimethyl-3-thienyl)-1-propyl-piperidin-3-amine (2S,3R)-2-(2,5-dimethyl-3-thieny…
| 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) | 2.10 | 6.55 | -39.11 | 3 | 2 | 1 | 31 | 253.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 6.37 | -2.25 | 2 | 2 | 0 | 29 | 252.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.2 | -31.32 | 3 | 2 | 1 | 30 | 253.435 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 7.43 | -106.66 | 4 | 2 | 2 | 32 | 254.443 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
