In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 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) | -0.93 | -2.91 | -45.4 | 4 | 4 | 1 | 60 | 189.279 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.93 | -3.37 | -4.46 | 3 | 4 | 0 | 59 | 188.271 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.93 | -0.59 | -107.09 | 5 | 4 | 2 | 62 | 190.287 | 3 | ↓ |