In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | 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) | 3.16 | 5.33 | -9.87 | 0 | 7 | 0 | 64 | 436.508 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 7.6 | -50.37 | 1 | 7 | 1 | 66 | 437.516 | 6 | ↓ |