In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 14 | 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) | 1.04 | 4.31 | -42.98 | 2 | 4 | 1 | 57 | 198.29 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 2.25 | -34.4 | 1 | 4 | 0 | 64 | 197.282 | 6 | ↓ |