In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 32 | No |
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) | 2.23 | 3.31 | -42.07 | 3 | 8 | 1 | 97 | 441.504 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 1.61 | -49.15 | 1 | 8 | -1 | 98 | 439.488 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 1.05 | -12.71 | 2 | 8 | 0 | 96 | 440.496 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 3.89 | -30.66 | 2 | 8 | 0 | 100 | 440.496 | 7 | ↓ |