In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | 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) | 0.67 | 3.81 | -48.4 | 3 | 5 | 1 | 58 | 251.354 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.67 | 3.41 | -5.06 | 2 | 5 | 0 | 56 | 250.346 | 2 | ↓ |