In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 20 | 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) | 2.26 | 6.93 | -34.91 | 2 | 4 | 1 | 49 | 280.436 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 5.51 | -4.06 | 1 | 4 | 0 | 48 | 279.428 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.