In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 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) | -0.26 | 2.48 | -42.18 | 4 | 4 | 1 | 63 | 208.285 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.26 | 1.05 | -10.39 | 3 | 4 | 0 | 58 | 207.277 | 4 | ↓ |