In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 21 | 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) | 3.51 | 8.37 | -37.8 | 3 | 3 | 1 | 45 | 278.379 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 7.47 | -8.13 | 2 | 3 | 0 | 41 | 277.371 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.51 | 8.86 | -112.78 | 4 | 3 | 2 | 47 | 279.387 | 2 | ↓ |