In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 32 | 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) | 2.74 | 5.48 | -55.38 | 3 | 8 | 1 | 78 | 436.536 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.74 | 3.21 | -18.14 | 2 | 8 | 0 | 77 | 435.528 | 4 | ↓ |