In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2010 | 26 | 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) | 1.88 | 8.73 | -47.7 | 1 | 6 | 1 | 58 | 376.502 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 6.5 | -15.56 | 0 | 6 | 0 | 57 | 375.494 | 5 | ↓ |