In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 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) | 0.59 | 6.14 | -49.29 | 2 | 9 | 1 | 92 | 447.604 | 11 | ↓ |
Mid Mid (pH 6-8) | 0.59 | 8.4 | -91.42 | 3 | 9 | 2 | 93 | 448.612 | 11 | ↓ |