In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 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) | 3.09 | 5.77 | -13.08 | 2 | 8 | 0 | 83 | 438.528 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 8.02 | -57.4 | 3 | 8 | 1 | 84 | 439.536 | 6 | ↓ |