In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 12 | 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) | 0.41 | 2.32 | -37.08 | 2 | 3 | 1 | 28 | 173.28 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.41 | -0.15 | -3.08 | 1 | 3 | 0 | 27 | 172.272 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.41 | 1.61 | -34.42 | 2 | 3 | 1 | 28 | 173.28 | 2 | ↓ |