In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 21 | 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) | 1.14 | 3.97 | -9.72 | 1 | 5 | 0 | 65 | 285.347 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 6.12 | -45.12 | 2 | 5 | 1 | 67 | 286.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.