| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2009 | 18 | Yes |
Popular Name: (2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-prop-2-ynyl-propanamide (2S)-2-[[(1R)-1-(3-bromophenyl)e…
| 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) | 2.44 | 6.03 | -39.02 | 3 | 3 | 1 | 46 | 310.215 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.24 | -7.22 | 2 | 3 | 0 | 41 | 309.207 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 3.64 | -35.2 | 2 | 3 | 0 | 52 | 309.207 | 5 | ↓ |
