| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 12 | 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) | 1.27 | 1.77 | -7.93 | 2 | 4 | 0 | 57 | 158.164 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 1.94 | -10.19 | 2 | 4 | 0 | 57 | 158.164 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 1.92 | -12.1 | 2 | 4 | 0 | 57 | 158.164 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | 2.02 | -12.19 | 2 | 4 | 0 | 57 | 158.164 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4734430 | IBM Patent Data |