In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 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) | 3.60 | 7.68 | -48.08 | 0 | 6 | -1 | 88 | 393.325 | 3 | ↓ |
Ref Reference (pH 7) | 3.60 | 7.51 | -48.63 | 0 | 6 | -1 | 88 | 393.325 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 10.18 | -12.64 | 1 | 6 | 0 | 85 | 394.333 | 3 | ↓ |