In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 12 | 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) | 1.80 | 2.98 | -38.99 | 3 | 2 | 1 | 37 | 251.169 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 2.64 | -3.6 | 2 | 2 | 0 | 35 | 250.161 | 4 | ↓ |