In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-[(2R)-tetrahydrofuran-2-yl]methanone [4-(3-aminopropyl)-1,4-diazepan-…
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) | -0.72 | 2.87 | -54.05 | 3 | 5 | 1 | 60 | 256.37 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.72 | 4.68 | -118.52 | 4 | 5 | 2 | 62 | 257.378 | 4 | ↓ |