In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2009 | 18 | 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) | 1.47 | 3.43 | -6.92 | 2 | 3 | 0 | 45 | 242.322 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 3.87 | -38.06 | 3 | 3 | 1 | 46 | 243.33 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 4.95 | -53.81 | 3 | 3 | 1 | 50 | 243.33 | 5 | ↓ |