In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 32 | 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) | 2.47 | 12.29 | -15.66 | 1 | 8 | 0 | 91 | 441.417 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 10.43 | -48.48 | 0 | 8 | -1 | 97 | 440.409 | 5 | ↓ |