In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 22nd, 2009 | 32 | 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) | 3.50 | 8.86 | -63.91 | 0 | 7 | -1 | 82 | 457.934 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 8.04 | -18.51 | 1 | 7 | 0 | 79 | 458.942 | 9 | ↓ |