In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 17 | 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) | 1.02 | 5.14 | -53.73 | 2 | 3 | 1 | 37 | 241.261 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 3.84 | -10.34 | 1 | 3 | 0 | 32 | 240.253 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.