In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2006 | 35 | 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) | 2.47 | 2.27 | -52.29 | 2 | 9 | 1 | 99 | 485.557 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 2.17 | -57.97 | 1 | 9 | 1 | 95 | 485.557 | 10 | ↓ |