In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 30 | Yes |
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) | 3.63 | 6.52 | -57.92 | 2 | 7 | 1 | 80 | 432.566 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.63 | 7.43 | -18.12 | 1 | 7 | 0 | 79 | 431.558 | 7 | ↓ |