In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2008 | 28 | 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) | 5.18 | 8.62 | -10.26 | 0 | 5 | 0 | 47 | 418.324 | 3 | ↓ |
Ref Reference (pH 7) | 5.18 | 8.91 | -8.13 | 0 | 5 | 0 | 47 | 418.324 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.18 | 10.64 | -46.95 | 1 | 5 | 1 | 48 | 419.332 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.18 | 10.92 | -45.93 | 1 | 5 | 1 | 48 | 419.332 | 3 | ↓ |