In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 32 | No |
None
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) | 1.86 | 2.82 | -15.37 | 3 | 8 | 0 | 117 | 439.464 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 3.53 | -19.85 | 2 | 8 | 0 | 113 | 439.464 | 11 | ↓ |