In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 36 | 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) | 5.16 | 16.28 | -56.94 | 1 | 6 | 0 | 75 | 492.604 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.16 | 14.01 | -60.55 | 0 | 6 | -1 | 74 | 491.596 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.