In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 32 | No |
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) | 2.54 | 7.06 | -16.59 | 0 | 7 | 0 | 62 | 427.508 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 9.06 | -64.37 | 1 | 7 | 1 | 64 | 428.516 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.