| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 22 | No |
Popular Name: (1S)-1-[(4-nitrophenyl)methyl]-3,6,9,12-tetrazacyclododecane (1S)-1-[(4-nitrophenyl)methyl]-3…
| 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) | 0.01 | 2.73 | -118.05 | 6 | 7 | 2 | 103 | 309.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 1.82 | -5.2 | 4 | 7 | 0 | 94 | 307.398 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 1.68 | -42.79 | 5 | 7 | 1 | 99 | 308.406 | 3 | ↓ |
