| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 12 | Yes |
Popular Name: 2-Phenyl-1,2-butanediamine 2-Phenyl-1,2-butanediamine
Find On: PubMed — Wikipedia — Google
CAS Number: 5062-64-6
| 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) | 1.06 | 1.88 | -39.8 | 5 | 2 | 1 | 54 | 165.26 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1.52 | -2.02 | 4 | 2 | 0 | 52 | 164.252 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 2.07 | -125.33 | 6 | 2 | 2 | 55 | 166.268 | 3 | ↓ |
