In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 26 | 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) | 4.41 | 12.66 | -50.09 | 2 | 3 | 1 | 34 | 369.554 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 10.38 | -11.13 | 1 | 3 | 0 | 32 | 368.546 | 6 | ↓ |