In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2006 | 27 | 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) | 3.06 | 10.75 | -7.98 | 0 | 6 | 0 | 61 | 408.285 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 11.71 | -36.69 | 1 | 6 | 1 | 62 | 409.293 | 8 | ↓ |