In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 17 | 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) | 2.61 | 9.33 | -140.47 | 0 | 4 | -2 | 80 | 238.283 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 7.33 | -50.06 | 1 | 4 | -1 | 77 | 239.291 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 7.49 | -59.93 | 1 | 4 | -1 | 77 | 239.291 | 4 | ↓ |