In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 15 | Yes |
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) | 2.44 | 6.02 | -104.51 | 4 | 2 | 2 | 32 | 214.397 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 6.06 | -30.51 | 3 | 2 | 1 | 30 | 213.389 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 4.63 | -41.49 | 3 | 2 | 1 | 31 | 213.389 | 6 | ↓ |