| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 28th, 2005 | 22 | No |
| 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) | 4.35 | 7.98 | -9.95 | 2 | 4 | 0 | 58 | 309.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 8.74 | -47.4 | 1 | 4 | -1 | 60 | 308.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.35 | 8.3 | -36.84 | 3 | 4 | 1 | 59 | 310.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.35 | 8.32 | -27.99 | 3 | 4 | 1 | 59 | 310.402 | 4 | ↓ |
