In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 12 | 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 | 3.13 | -33.77 | 2 | 2 | 1 | 20 | 171.308 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.59 | 5.47 | -100.16 | 3 | 2 | 2 | 21 | 172.316 | 3 | ↓ |