In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 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) | 1.92 | 6.96 | -16.65 | 0 | 8 | 0 | 87 | 461.584 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 9.29 | -70.15 | 1 | 8 | 1 | 88 | 462.592 | 5 | ↓ |