In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 28th, 2010 | 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) | 1.59 | 1.77 | -10.93 | 1 | 4 | 0 | 55 | 227.285 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 2.33 | -43.93 | 0 | 4 | -1 | 57 | 226.277 | 4 | ↓ |