In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 16 | 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) | 1.95 | 3.46 | -10.76 | 1 | 3 | 0 | 42 | 217.268 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 3.95 | -29.82 | 2 | 3 | 1 | 44 | 218.276 | 4 | ↓ |