In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2011 | 17 | 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) | 1.95 | 5.87 | -34.59 | 2 | 3 | 1 | 37 | 298.204 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.95 | 4.46 | -8.48 | 1 | 3 | 0 | 32 | 297.196 | 3 | ↓ |