In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 17 | 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) | 1.86 | 5.88 | -84.42 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 3.64 | -35.92 | 2 | 3 | 1 | 23 | 240.415 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 5.91 | -106.61 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |