In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 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) | 1.72 | 1.32 | -34.78 | 3 | 5 | 0 | 80 | 195.27 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 1.49 | -50.07 | 4 | 5 | 1 | 82 | 196.278 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.