In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 32 | 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) | -0.22 | -8.59 | -17.8 | 7 | 12 | 0 | 200 | 452.368 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.22 | -7.66 | -48.87 | 6 | 12 | -1 | 202 | 451.36 | 4 | ↓ |