In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 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) | 4.48 | 12.23 | -53.3 | 2 | 5 | 1 | 56 | 462.517 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 10.07 | -19.74 | 1 | 5 | 0 | 54 | 461.509 | 8 | ↓ |