In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 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) | 1.23 | 7.57 | -50.31 | 2 | 4 | 1 | 42 | 262.377 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 6.22 | -11.12 | 1 | 4 | 0 | 37 | 261.369 | 4 | ↓ |