| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[[4-(3-aminoprop-1-ynyl)phenyl]methyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[4-(3-aminoprop-1-ynyl)p…
| 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) | 1.28 | 7.58 | -100.13 | 4 | 3 | 2 | 56 | 243.354 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 5.11 | -10.69 | 2 | 3 | 0 | 53 | 241.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.52 | -50.45 | 3 | 3 | 1 | 55 | 242.346 | 4 | ↓ |
