In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 29 | 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) | 3.58 | 13.14 | -41.03 | 2 | 6 | 1 | 64 | 437.033 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.58 | 10.73 | -10.93 | 1 | 6 | 0 | 63 | 436.025 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.