In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 18 | 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) | 4.27 | 6.59 | -46.41 | 3 | 2 | 1 | 37 | 327.629 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 5.2 | -5.1 | 2 | 2 | 0 | 32 | 326.621 | 4 | ↓ |