In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 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) | 1.67 | 4.29 | -3.97 | 0 | 3 | 0 | 25 | 220.316 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 4.75 | -34.4 | 1 | 3 | 1 | 27 | 221.324 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 6.06 | -37.18 | 1 | 3 | 1 | 27 | 221.324 | 2 | ↓ |