In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 16 | 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) | 2.24 | 4.42 | -33.06 | 3 | 4 | 1 | 66 | 217.248 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 4.05 | -9.95 | 2 | 4 | 0 | 65 | 216.24 | 2 | ↓ |