In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | 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) | 4.55 | 9.32 | -41.22 | 2 | 2 | 1 | 29 | 325.86 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 8.21 | -8.2 | 1 | 2 | 0 | 25 | 324.852 | 5 | ↓ |