In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 35 | No |
Popular Name: (3S)-4,8-dimethyl-3-pentadecyl-4,8,13,17-tetrazacycloheptadecan-1-one (3S)-4,8-dimethyl-3-pentadecyl-4…
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) | 8.61 | 16.91 | -189.48 | 5 | 5 | 3 | 55 | 497.877 | 14 | ↓ |
Mid Mid (pH 6-8) | 8.61 | 15.25 | -88.45 | 4 | 5 | 2 | 53 | 496.869 | 14 | ↓ |
Mid Mid (pH 6-8) | 8.61 | 14.27 | -114.29 | 4 | 5 | 2 | 53 | 496.869 | 14 | ↓ |