In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 19 | No |
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) | 3.58 | 4.79 | -29.89 | 2 | 3 | 1 | 47 | 251.309 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 5.21 | -96.68 | 3 | 3 | 2 | 48 | 252.317 | 2 | ↓ |