In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2006 | 29 | 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) | 4.02 | 13.23 | -12.57 | 0 | 5 | 0 | 49 | 386.499 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.02 | 13.55 | -33.28 | 1 | 5 | 1 | 51 | 387.507 | 5 | ↓ |