In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 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) | 3.01 | 7.09 | -27.33 | 2 | 2 | 1 | 26 | 191.298 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 6.63 | -3.63 | 1 | 2 | 0 | 25 | 190.29 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.