In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2006 | 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) | 2.84 | 7.26 | -23.65 | 2 | 10 | 0 | 121 | 505.527 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 5.42 | -60.95 | 1 | 10 | -1 | 124 | 504.519 | 9 | ↓ |