In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | 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) | 1.80 | 6.73 | -10.62 | 0 | 3 | 0 | 33 | 218.3 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 7.18 | -34.04 | 1 | 3 | 1 | 34 | 219.308 | 3 | ↓ |