In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 3.00 | 9.74 | -36.37 | 1 | 1 | 1 | 4 | 202.321 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 7.75 | -3.13 | 0 | 1 | 0 | 3 | 201.313 | 5 | ↓ |