In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | 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) | 1.85 | 2.41 | -44.88 | 3 | 3 | 1 | 40 | 239.383 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 4.29 | -121.25 | 4 | 3 | 2 | 41 | 240.391 | 2 | ↓ |