In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 37 | 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) | 1.93 | 9.54 | -98.22 | 4 | 9 | 2 | 101 | 509.699 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 9.21 | -60.43 | 3 | 9 | 1 | 100 | 508.691 | 5 | ↓ |