In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 26 | 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) | 2.12 | 6.63 | -37.57 | 6 | 8 | 1 | 131 | 375.478 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 6.6 | -15.27 | 5 | 8 | 0 | 129 | 374.47 | 4 | ↓ |