In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: 2-[4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]-N,N-diethyl-acetamide 2-[4-[(1S)-3-amino-1-ethyl-propy…
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) | 0.55 | 3.9 | -49.4 | 3 | 5 | 1 | 54 | 299.483 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.55 | 5.26 | -116.16 | 4 | 5 | 2 | 56 | 300.491 | 8 | ↓ |