In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 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) | 2.58 | 6.55 | -40.52 | 3 | 6 | 1 | 67 | 356.475 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 4.31 | -10.72 | 2 | 6 | 0 | 66 | 355.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.