In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 27 | 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) | 3.55 | 7.61 | -16.35 | 1 | 7 | 0 | 85 | 369.469 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.55 | 8.12 | -38.84 | 2 | 7 | 1 | 87 | 370.477 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.