In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (5S,6R)-N5,N6-diethyl-N6-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine (5S,6R)-N5,N6-diethyl-N6-(2-meth…
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) | 3.21 | 6.82 | -30.07 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 7.17 | -2.16 | 1 | 3 | 0 | 24 | 290.451 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 8.53 | -29.26 | 2 | 3 | 1 | 26 | 291.459 | 7 | ↓ |