In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 23 | Yes |
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) | 1.74 | 5.92 | -14.84 | 1 | 6 | 0 | 63 | 327.413 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 8.65 | -56.3 | 2 | 6 | 1 | 64 | 328.421 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 9.09 | -83.35 | 3 | 6 | 2 | 65 | 329.429 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.