In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 18 | 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) | 3.23 | 9.74 | -15.65 | 0 | 2 | 0 | 34 | 258.239 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 8.64 | -46.44 | 0 | 2 | -1 | 40 | 257.231 | 5 | ↓ |