In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 25 | No |
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) | 2.80 | 7.42 | -63.46 | 1 | 5 | 1 | 59 | 363.503 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 5.29 | -16.47 | 0 | 5 | 0 | 58 | 362.495 | 3 | ↓ |