In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 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) | 4.84 | 11.83 | -44.95 | 3 | 2 | 1 | 37 | 344.478 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.84 | 11.45 | -4.32 | 2 | 2 | 0 | 35 | 343.47 | 7 | ↓ |