In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | 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) | 2.78 | 4.4 | -10.06 | 0 | 7 | 0 | 64 | 422.481 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 6.67 | -50.47 | 1 | 7 | 1 | 66 | 423.489 | 5 | ↓ |