In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 15 | Yes |
Popular Name: 4-(2-aminoethyl)-N-ethyl-1,4-diazepane-1-carboxamide 4-(2-aminoethyl)-N-ethyl-1,4-dia…
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) | -0.11 | 0.75 | -52.17 | 4 | 5 | 1 | 63 | 215.321 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 2.55 | -129.66 | 5 | 5 | 2 | 64 | 216.329 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 2.15 | -43.87 | 4 | 5 | 1 | 63 | 215.321 | 3 | ↓ |