In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 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) | 0.80 | 6.69 | -15.55 | 0 | 3 | 0 | 37 | 183.251 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.81 | 5.59 | -50.21 | 0 | 3 | -1 | 43 | 182.243 | 5 | ↓ |