In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2005 | 19 | 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) | 3.34 | 7.53 | -47.14 | 2 | 3 | 1 | 35 | 256.325 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 6.43 | -6.73 | 1 | 3 | 0 | 30 | 255.317 | 4 | ↓ |