In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 13 | 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) | -0.68 | 1.77 | -34.67 | 2 | 4 | 1 | 37 | 186.279 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.68 | -0.61 | -8.47 | 1 | 4 | 0 | 36 | 185.271 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.68 | 3.15 | -95.28 | 3 | 4 | 2 | 41 | 187.287 | 2 | ↓ |