In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 33 | 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) | 6.19 | 13.71 | -12.04 | 1 | 5 | 0 | 56 | 461.993 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.19 | 14.23 | -36.99 | 2 | 5 | 1 | 57 | 463.001 | 8 | ↓ |