In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 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) | -1.00 | -1.2 | -35.64 | 5 | 6 | 1 | 90 | 236.299 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.00 | 0.95 | -87.08 | 6 | 6 | 2 | 91 | 237.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.