In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 29 | 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) | 1.74 | 8.74 | -43.52 | 1 | 7 | 1 | 57 | 399.494 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 6.27 | -9.23 | 0 | 7 | 0 | 56 | 398.486 | 3 | ↓ |