In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2009 | 26 | 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) | 3.18 | 7.99 | -44.33 | 2 | 5 | 1 | 56 | 355.458 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 6.18 | -7.5 | 1 | 5 | 0 | 55 | 354.45 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.