In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 8th, 2011 | 25 | 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) | 1.00 | 3.57 | -25.61 | 1 | 8 | 0 | 99 | 340.387 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.00 | 4.01 | -48.15 | 2 | 8 | 1 | 101 | 341.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.