| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 21 | Yes |
Popular Name: (2S)-2-amino-3-[methyl-[2-(4-pyridyl)ethyl]amino]-2-phenyl-propan-1-ol (2S)-2-amino-3-[methyl-[2-(4-pyr…
| 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) | 1.29 | 2.74 | -48.36 | 4 | 4 | 1 | 64 | 286.399 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 2.49 | -5.47 | 3 | 4 | 0 | 62 | 285.391 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 3.2 | -87.2 | 5 | 4 | 2 | 65 | 287.407 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 5.26 | -91.14 | 5 | 4 | 2 | 65 | 287.407 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.29 | 4.24 | -41.77 | 4 | 4 | 1 | 64 | 286.399 | 7 | ↓ |
