In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 31 | 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) | 3.04 | 5.03 | -17.09 | 3 | 7 | 0 | 105 | 418.449 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 3.11 | -40.32 | 2 | 7 | -1 | 111 | 417.441 | 3 | ↓ |