In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 26 | 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) | 2.99 | 9.68 | -72.23 | 1 | 5 | 0 | 65 | 390.892 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 7.15 | -54.96 | 0 | 5 | -1 | 64 | 389.884 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.99 | 8.87 | -52.63 | 2 | 5 | 1 | 62 | 391.9 | 6 | ↓ |