In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 13 | 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) | 1.28 | 4.95 | -100.27 | 4 | 2 | 2 | 32 | 184.327 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 2.56 | -42.22 | 3 | 2 | 1 | 31 | 183.319 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.