In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 34 | 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) | 4.20 | 8.78 | -48.27 | 1 | 7 | 1 | 66 | 477.459 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.20 | 5.94 | -11.98 | 0 | 7 | 0 | 64 | 476.451 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 8.2 | -47.35 | 1 | 7 | 1 | 66 | 477.459 | 6 | ↓ |