| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 30th, 2011 | 19 | Yes |
Popular Name: (2S)-1-(4-isopropylphenyl)-3-(4-pyridyl)propan-2-amine (2S)-1-(4-isopropylphenyl)-3-(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) | 3.01 | 7.98 | -47.97 | 3 | 2 | 1 | 41 | 255.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 7.69 | -5.2 | 2 | 2 | 0 | 39 | 254.377 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.01 | 8.44 | -104.55 | 4 | 2 | 2 | 42 | 256.393 | 5 | ↓ |
