In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 21 | 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) | 0.33 | 3.01 | -56.74 | 3 | 6 | 1 | 67 | 292.359 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.33 | 1.66 | -12.68 | 2 | 6 | 0 | 63 | 291.351 | 3 | ↓ |