In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 29 | 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) | 1.56 | 8.09 | -55.36 | 1 | 6 | 1 | 46 | 402.559 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 5.86 | -13.18 | 0 | 6 | 0 | 45 | 401.551 | 4 | ↓ |