In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 3.32 | 5.73 | -13.62 | 1 | 8 | 0 | 91 | 457.523 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 4.96 | -53 | 0 | 8 | -1 | 93 | 456.515 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.32 | 6.4 | -39.8 | 2 | 8 | 1 | 92 | 458.531 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.32 | 7.19 | -36.41 | 1 | 8 | 0 | 95 | 457.523 | 11 | ↓ |