In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | 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) | 2.42 | 3.41 | -14.82 | 3 | 5 | 0 | 71 | 270.336 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 3.83 | -38.3 | 4 | 5 | 1 | 72 | 271.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.