In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 30 | 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) | 2.92 | 11.1 | -14.82 | 2 | 8 | 0 | 90 | 405.458 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 11.82 | -56.75 | 3 | 8 | 1 | 95 | 406.466 | 5 | ↓ |