In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2005 | 25 | 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) | 3.00 | 8.08 | -47.48 | 2 | 5 | 1 | 52 | 342.415 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 5.86 | -11.2 | 1 | 5 | 0 | 51 | 341.407 | 3 | ↓ |