In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 13 | 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) | 1.04 | 2.87 | -36.57 | 4 | 4 | 1 | 63 | 186.279 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 0.77 | -4.67 | 3 | 4 | 0 | 62 | 185.271 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 0.46 | -5.81 | 3 | 4 | 0 | 62 | 185.271 | 3 | ↓ |