In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 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) | -0.35 | 0.11 | -36.19 | 4 | 4 | 1 | 60 | 186.279 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.35 | -2.35 | -7.41 | 3 | 4 | 0 | 58 | 185.271 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.35 | 1.25 | -108.67 | 5 | 4 | 2 | 64 | 187.287 | 4 | ↓ |