In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 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) | 0.46 | 4.5 | -49.79 | 3 | 3 | 1 | 40 | 257.357 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.46 | 4.27 | -4.44 | 2 | 3 | 0 | 38 | 256.349 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.46 | 6.48 | -143.68 | 4 | 3 | 2 | 41 | 258.365 | 3 | ↓ |