In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2010 | 12 | 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) | 1.29 | 7.13 | -41.58 | 1 | 2 | 1 | 28 | 167.276 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 5.43 | -4.87 | 0 | 2 | 0 | 27 | 166.268 | 5 | ↓ |