In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 30 | 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) | 3.95 | 10.97 | -49.51 | 2 | 6 | 1 | 69 | 445.634 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 8.92 | -11.9 | 1 | 6 | 0 | 67 | 444.626 | 9 | ↓ |