In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 33 | No |
None
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) | 5.03 | 14.08 | -13.23 | 0 | 8 | 0 | 98 | 437.459 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.03 | 14.61 | -14.59 | 1 | 8 | 0 | 99 | 438.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.