In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 28 | Yes |
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) | 4.43 | 12.19 | -16.63 | 2 | 6 | 0 | 84 | 377.444 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.89 | 10.64 | -57.71 | 1 | 6 | -1 | 87 | 376.436 | 6 | ↓ |