In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 18 | 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) | -1.18 | 4.72 | -47.15 | 5 | 2 | 1 | 54 | 249.284 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.18 | 4.31 | -4.92 | 4 | 2 | 0 | 52 | 248.276 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.18 | 4.95 | -141.72 | 6 | 2 | 2 | 55 | 250.292 | 3 | ↓ |