| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2009 | 38 | No |
Popular Name: (S)-2-(4-nitrobenzyl)-DOTA (S)-2-(4-nitrobenzyl)-DOTA
| 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) | -4.49 | 7.11 | -169.36 | 1 | 15 | -3 | 220 | 536.518 | 11 | ↓ |
| Hi High (pH 8-9.5) | -4.49 | 9.59 | -159.69 | 2 | 15 | -2 | 222 | 537.526 | 11 | ↓ |
| Hi High (pH 8-9.5) | -4.49 | 11.59 | -132.26 | 3 | 15 | -1 | 223 | 538.534 | 11 | ↓ |
| Mid Mid (pH 6-8) | -4.49 | 12.59 | -160.8 | 3 | 15 | -1 | 223 | 538.534 | 11 | ↓ |
| Mid Mid (pH 6-8) | -4.49 | 6.87 | -155.18 | 2 | 15 | -2 | 222 | 537.526 | 11 | ↓ |
| Mid Mid (pH 6-8) | -4.49 | 7.55 | -150.55 | 2 | 15 | -2 | 222 | 537.526 | 11 | ↓ |
| Lo Low (pH 4.5-6) | -4.49 | 10.85 | -196 | 4 | 15 | 0 | 224 | 539.542 | 11 | ↓ |
