In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | 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) | 3.16 | 5.19 | -39.59 | 3 | 4 | 1 | 57 | 289.399 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.16 | 4.02 | -11.69 | 2 | 4 | 0 | 53 | 288.391 | 3 | ↓ |