In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 18 | Yes |
Popular Name: (1R)-N-benzyl-1-(5-bromo-2-furyl)-N-methyl-ethane-1,2-diamine (1R)-N-benzyl-1-(5-bromo-2-furyl…
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) | 2.32 | 7.14 | -133.78 | 4 | 3 | 2 | 45 | 311.223 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 4.36 | -4.19 | 2 | 3 | 0 | 42 | 309.207 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 5.13 | -48.66 | 3 | 3 | 1 | 44 | 310.215 | 5 | ↓ |