In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 3.14 | 6.13 | -16.14 | 0 | 8 | 0 | 74 | 466.534 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 8.4 | -51.32 | 1 | 8 | 1 | 75 | 467.542 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 8.96 | -52.41 | 1 | 8 | 1 | 75 | 467.542 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 11.26 | -123.84 | 2 | 8 | 2 | 76 | 468.55 | 7 | ↓ |