In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 30 | No |
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) | 4.72 | 9.99 | -6.62 | 1 | 5 | 0 | 53 | 434.024 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 12.22 | -49.4 | 2 | 5 | 1 | 54 | 435.032 | 9 | ↓ |