In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 22 | 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) | 4.45 | 9.58 | -8.55 | 0 | 4 | 0 | 48 | 297.354 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 9.22 | -43.58 | 1 | 4 | 1 | 50 | 298.362 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 9.92 | -40.93 | 1 | 4 | 1 | 50 | 298.362 | 7 | ↓ |