In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 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) | 0.02 | 0.94 | -109.09 | 6 | 4 | 2 | 81 | 191.234 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.02 | 0.61 | -31.27 | 5 | 4 | 1 | 79 | 190.226 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.