In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2009 | 31 | 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) | 1.93 | 12.47 | -16.99 | 1 | 8 | 0 | 109 | 430.493 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 10.68 | -58.33 | 0 | 8 | -1 | 112 | 429.485 | 5 | ↓ |