In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2006 | 28 | No |
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) | 3.69 | 1.61 | -47.7 | 2 | 5 | 1 | 62 | 403.861 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 1.43 | -47.85 | 1 | 5 | 1 | 58 | 403.861 | 6 | ↓ |