In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 23 | 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) | 3.74 | 6.21 | -41.64 | 1 | 5 | -1 | 78 | 328.417 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 7.33 | -11.2 | 2 | 5 | 0 | 75 | 329.425 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 6.74 | -15.59 | 2 | 5 | 0 | 75 | 329.425 | 3 | ↓ |