In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2006 | 29 | 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) | -0.44 | -2.32 | -59.59 | 6 | 9 | -1 | 181 | 400.363 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.17 | -2.15 | -71.86 | 6 | 9 | -1 | 181 | 400.363 | 0 | ↓ |
Mid Mid (pH 6-8) | -1.17 | -3.14 | -22.12 | 7 | 9 | 0 | 178 | 401.371 | 0 | ↓ |
Lo Low (pH 4.5-6) | -0.12 | -6.14 | -24.87 | 8 | 9 | 0 | 181 | 402.379 | 1 | ↓ |