In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 28 | 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) | 1.59 | 6.23 | -13.39 | 1 | 8 | 0 | 91 | 381.436 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 6.66 | -33.43 | 2 | 8 | 1 | 92 | 382.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.