| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (2S)-1-[(3-bromophenyl)methyl-methyl-amino]-3-(ethylamino)propan-2-ol (2S)-1-[(3-bromophenyl)methyl-me…
| 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) | 1.69 | 3.06 | -39.61 | 3 | 3 | 1 | 40 | 302.236 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 1.69 | -4.2 | 2 | 3 | 0 | 35 | 301.228 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.09 | -39.77 | 3 | 3 | 1 | 37 | 302.236 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 5.99 | -45.17 | 3 | 3 | 1 | 44 | 302.236 | 7 | ↓ |
