In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 29 | No |
None
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) | 2.63 | 7.77 | -19.93 | 1 | 9 | 0 | 111 | 414.491 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.63 | 9.83 | -71.37 | 2 | 9 | 1 | 112 | 415.499 | 4 | ↓ |