In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 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) | 1.58 | 3.24 | -38.68 | 3 | 3 | 1 | 46 | 224.324 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.58 | 2.08 | -4.15 | 2 | 3 | 0 | 41 | 223.316 | 6 | ↓ |