| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 19 | Yes |
Popular Name: (1S)-N-(3-pyridylmethyl)-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-(3-pyridylmethyl)-1-(2,4,…
| 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) | 2.18 | 7.06 | -46.23 | 2 | 3 | 1 | 42 | 256.373 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.86 | -29.89 | 2 | 3 | 1 | 39 | 256.373 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 7.44 | -99.22 | 3 | 3 | 2 | 44 | 257.381 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 6.47 | -6.24 | 1 | 3 | 0 | 38 | 255.365 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
