In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 16 | 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) | 0.81 | 3.72 | -54.92 | 3 | 4 | 1 | 55 | 221.28 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 2.37 | -10.76 | 2 | 4 | 0 | 50 | 220.272 | 2 | ↓ |