In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
None
None
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) | 3.53 | 6.5 | -12.1 | 1 | 8 | 0 | 86 | 480.561 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 8.12 | -49.45 | 0 | 8 | -1 | 89 | 479.553 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 9.53 | -36.24 | 1 | 8 | 0 | 90 | 480.561 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 8.78 | -40.09 | 2 | 8 | 1 | 88 | 481.569 | 10 | ↓ |