In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 17 | Yes |
Popular Name: (5R)-5-ethyl-1-(1,1,3,3-tetramethylbutyl)-1,4-diazepane (5R)-5-ethyl-1-(1,1,3,3-tetramet…
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) | 3.91 | 7.9 | -35.79 | 2 | 2 | 1 | 20 | 241.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 6.58 | -0.22 | 2 | 2 | 0 | 16 | 241.443 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 7.85 | -0.57 | 3 | 2 | 0 | 21 | 242.451 | 4 | ↓ |