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) | 5.65 | 18.74 | -101.88 | 2 | 5 | 2 | 30 | 473.709 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.65 | 14.89 | -5.28 | 0 | 5 | 0 | 28 | 471.693 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.65 | 17.12 | -44.69 | 1 | 5 | 1 | 29 | 472.701 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.65 | 18.9 | -184.03 | 3 | 5 | 3 | 31 | 474.717 | 10 | ↓ |