In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | 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) | 2.15 | 7.41 | -31.78 | 3 | 2 | 1 | 30 | 261.433 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 7.71 | -118.47 | 4 | 2 | 2 | 32 | 262.441 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.