In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2009 | 17 | 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) | 2.55 | 4.84 | -38.8 | 3 | 3 | 1 | 46 | 238.351 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 3.42 | -4.12 | 2 | 3 | 0 | 41 | 237.343 | 8 | ↓ |