In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: 4-(2-aminoethyl)-N-butyl-1,4-diazepane-1-carboxamide 4-(2-aminoethyl)-N-butyl-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) | 0.95 | 2.29 | -52.07 | 4 | 5 | 1 | 63 | 243.375 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.95 | 4.08 | -130.19 | 5 | 5 | 2 | 64 | 244.383 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.95 | 3.69 | -44.59 | 4 | 5 | 1 | 63 | 243.375 | 5 | ↓ |