| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 36 | No |
None
None
| 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) | 3.19 | 7.24 | -54.2 | 3 | 8 | 1 | 93 | 492.596 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 5.53 | -50.92 | 1 | 8 | -1 | 94 | 490.58 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 7.81 | -40.76 | 2 | 8 | 0 | 95 | 491.588 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 7.3 | -49.93 | 3 | 8 | 1 | 93 | 492.596 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 4.97 | -14.58 | 2 | 8 | 0 | 91 | 491.588 | 7 | ↓ |
