| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2004 | 29 | Yes |
| 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) | 3.13 | 9.21 | -33.29 | 2 | 7 | 1 | 83 | 393.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 9.64 | -34.18 | 3 | 7 | 1 | 86 | 393.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 8.71 | -17.26 | 1 | 7 | 0 | 82 | 392.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 9.04 | -39.86 | 2 | 7 | 1 | 83 | 393.467 | 7 | ↓ |
