In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 21 | 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) | -0.75 | -3.92 | -20.01 | 2 | 6 | 0 | 83 | 284.319 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.75 | -3.86 | -48.65 | 3 | 6 | 1 | 85 | 285.327 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.75 | -3.8 | -88.28 | 4 | 6 | 2 | 86 | 286.335 | 6 | ↓ |