In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2010 | 26 | Yes |
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) | -0.66 | 5.69 | -57.23 | 2 | 9 | 1 | 89 | 362.458 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.66 | 3.42 | -19.04 | 1 | 9 | 0 | 88 | 361.45 | 6 | ↓ |