In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 35 | 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) | 6.16 | 18.5 | -101.63 | 2 | 5 | 2 | 30 | 475.725 | 11 | ↓ |
Hi High (pH 8-9.5) | 6.16 | 15.27 | -5.64 | 0 | 5 | 0 | 28 | 473.709 | 11 | ↓ |
Mid Mid (pH 6-8) | 6.16 | 16.4 | -38.94 | 1 | 5 | 1 | 29 | 474.717 | 11 | ↓ |
Lo Low (pH 4.5-6) | 6.16 | 18.38 | -183.49 | 3 | 5 | 3 | 31 | 476.733 | 11 | ↓ |