| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 12 | Yes |
Popular Name: (2S)-3-[[(2R)-3-amino-2-hydroxy-propyl]-methyl-amino]-2-methyl-propanenitrile (2S)-3-[[(2R)-3-amino-2-hydroxy-…
| 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) | -0.97 | -1.97 | -46.53 | 4 | 4 | 1 | 75 | 172.252 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | -2.43 | -8.97 | 3 | 4 | 0 | 73 | 171.244 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 0.67 | -58 | 4 | 4 | 1 | 79 | 172.252 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.97 | 0.13 | -111.19 | 5 | 4 | 2 | 76 | 173.26 | 5 | ↓ |
