In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | 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) | 3.51 | 7.89 | -19.65 | 0 | 9 | 0 | 95 | 504.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 10.73 | -54.92 | 1 | 9 | 1 | 96 | 505.547 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 10.16 | -54.23 | 1 | 9 | 1 | 96 | 505.547 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.51 | 13.01 | -125.73 | 2 | 9 | 2 | 97 | 506.555 | 6 | ↓ |