In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2010 | 30 | Yes |
None
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) | 0.98 | 11.28 | -97.69 | 2 | 7 | 0 | 91 | 415.465 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.77 | 9.43 | -80.67 | 3 | 7 | 1 | 94 | 416.473 | 4 | ↓ |