In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 15 | 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) | 2.61 | 4.32 | -43.25 | 3 | 2 | 1 | 37 | 291.234 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 3.03 | -4.24 | 2 | 2 | 0 | 32 | 290.226 | 3 | ↓ |