In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 13 | 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) | -0.12 | 3.63 | -33.16 | 2 | 4 | 1 | 54 | 185.247 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.12 | 2.3 | -8.71 | 1 | 4 | 0 | 49 | 184.239 | 4 | ↓ |