In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 18 | Yes |
Popular Name: (1S)-N,N-dibutyl-1-(5-methyl-2-furyl)ethane-1,2-diamine (1S)-N,N-dibutyl-1-(5-methyl-2-f…
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) | 3.08 | 5.22 | -44.84 | 3 | 3 | 1 | 44 | 253.41 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 7.53 | -115.13 | 4 | 3 | 2 | 45 | 254.418 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 7.44 | -29 | 3 | 3 | 1 | 44 | 253.41 | 9 | ↓ |