In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 28 | 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) | 1.28 | 5.61 | -44.83 | 4 | 7 | 1 | 91 | 386.451 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 5.15 | -16.68 | 3 | 7 | 0 | 90 | 385.443 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 6.34 | -54.63 | 4 | 7 | 1 | 95 | 386.451 | 3 | ↓ |