In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 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) | -2.06 | 0.12 | -25.47 | 2 | 9 | 0 | 119 | 341.393 | 3 | ↓ |
Lo Low (pH 4.5-6) | -2.06 | 0.58 | -58.11 | 3 | 9 | 1 | 120 | 342.401 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.