In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 21 | 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) | 3.73 | 6.43 | -52.86 | 3 | 3 | 1 | 50 | 277.347 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.73 | 6.04 | -7.64 | 2 | 3 | 0 | 48 | 276.339 | 4 | ↓ |