In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 26 | 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) | 2.37 | 3.79 | -53.59 | 1 | 11 | -1 | 141 | 421.246 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 3.34 | -53.08 | 1 | 11 | -1 | 146 | 421.246 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 3.38 | -127.48 | 0 | 11 | -2 | 148 | 420.238 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.