In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 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) | 3.10 | -0.44 | -13.45 | 0 | 7 | 0 | 74 | 409.877 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.10 | -0.33 | -41.88 | 1 | 7 | 1 | 76 | 410.885 | 5 | ↓ |