In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | 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) | 4.16 | 7.23 | -8.8 | 0 | 6 | 0 | 55 | 499.405 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 10.09 | -52.58 | 1 | 6 | 1 | 56 | 500.413 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.16 | 9.49 | -46.68 | 1 | 6 | 1 | 56 | 500.413 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 12.36 | -126.36 | 2 | 6 | 2 | 58 | 501.421 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.