In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 31 | 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) | 1.35 | -3.01 | -54.76 | 4 | 8 | 1 | 120 | 425.461 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.77 | -3.16 | -63.43 | 3 | 8 | 1 | 117 | 425.461 | 10 | ↓ |