In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2005 | 15 | 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) | 2.23 | 6.08 | -15.3 | 1 | 4 | 0 | 65 | 218.647 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 5.93 | -39.05 | 0 | 4 | -1 | 64 | 217.639 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 5.89 | -39.01 | 0 | 4 | -1 | 64 | 217.639 | 2 | ↓ |