In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
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) | 3.33 | 7.32 | -12.3 | 0 | 9 | 0 | 101 | 465.506 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 10.18 | -57.1 | 1 | 9 | 1 | 102 | 466.514 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 9.58 | -50.15 | 1 | 9 | 1 | 102 | 466.514 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.33 | 12.45 | -130.9 | 2 | 9 | 2 | 103 | 467.522 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.