In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 25 | No |
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) | 7.94 | 14.98 | -47.01 | 0 | 3 | -1 | 53 | 351.551 | 18 | ↓ |
Lo Low (pH 4.5-6) | 7.94 | 13 | -8.32 | 1 | 3 | 0 | 50 | 352.559 | 18 | ↓ |