| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 21 | Yes |
Popular Name: (2S)-3-[[5-(3-aminoprop-1-ynyl)-2-methoxy-phenyl]methyl-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[5-(3-aminoprop-1-ynyl)-…
| 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) | 1.64 | 7.89 | -100.77 | 4 | 4 | 2 | 65 | 287.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 5.65 | -8.21 | 2 | 4 | 0 | 62 | 285.391 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 6.06 | -51.99 | 3 | 4 | 1 | 64 | 286.399 | 6 | ↓ |
