| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 34 | 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) | 2.19 | 8.23 | -59.55 | 0 | 8 | -1 | 101 | 459.478 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 7.23 | -31.05 | 1 | 8 | 0 | 98 | 460.486 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 8.26 | -23.42 | 0 | 8 | 0 | 95 | 460.486 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 7.84 | -56.11 | 2 | 8 | 1 | 99 | 461.494 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 8.53 | -64.24 | 1 | 8 | 1 | 96 | 461.494 | 8 | ↓ |
