In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2011 | 17 | 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) | 3.81 | 7.53 | -36.2 | 2 | 3 | 1 | 34 | 241.399 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.81 | 5.65 | -6.55 | 1 | 3 | 0 | 32 | 240.391 | 7 | ↓ |