In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 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) | 3.67 | 7.33 | -10.8 | 1 | 5 | 0 | 51 | 408.42 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 9.09 | -44.35 | 2 | 5 | 1 | 52 | 409.428 | 7 | ↓ |