In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 14 | 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) | 1.25 | 4.04 | -9.25 | 1 | 4 | 0 | 51 | 189.218 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 4.22 | -31.44 | 2 | 4 | 1 | 52 | 190.226 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 4.21 | -33.81 | 2 | 4 | 1 | 52 | 190.226 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.