In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 19 | 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) | 1.83 | 5.58 | -56.41 | 3 | 4 | 1 | 59 | 256.329 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 4.17 | -13.62 | 2 | 4 | 0 | 54 | 255.321 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 4.71 | -38.09 | 3 | 4 | 1 | 55 | 256.329 | 5 | ↓ |