In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2009 | 21 | Yes |
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) | 3.93 | 7.53 | -53.74 | 2 | 5 | -1 | 89 | 292.355 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 8.53 | -106.21 | 1 | 5 | -2 | 92 | 291.347 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.93 | 5.56 | -15.62 | 3 | 5 | 0 | 87 | 293.363 | 10 | ↓ |