| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2011 | 21 | Yes |
Popular Name: (2S,3R)-N3-(2-aminoethyl)-1,4-diphenyl-butane-2,3-diamine (2S,3R)-N3-(2-aminoethyl)-1,4-di…
| 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) | 1.36 | 4.43 | -117.17 | 7 | 3 | 2 | 67 | 285.435 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 4.04 | -48.83 | 6 | 3 | 1 | 66 | 284.427 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 5.9 | -247.71 | 8 | 3 | 3 | 72 | 286.443 | 8 | ↓ |
