| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 18 | Yes |
Popular Name: (2S)-2-[[[(1S)-1-(3-bromophenyl)ethyl]amino]methyl]pentanedinitrile (2S)-2-[[[(1S)-1-(3-bromophenyl)…
| 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) | 2.72 | 7.64 | -14.39 | 1 | 3 | 0 | 60 | 306.207 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 8.79 | -64.65 | 2 | 3 | 1 | 64 | 307.215 | 6 | ↓ |
