In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 26th, 2006 | 29 | 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) | 2.23 | 11.09 | -49.95 | 2 | 6 | 1 | 57 | 397.543 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 9.31 | -20.05 | 1 | 6 | 0 | 56 | 396.535 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 12.27 | -77.81 | 3 | 6 | 0 | 58 | 398.551 | 8 | ↓ |