In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2010 | 27 | 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) | 0.93 | 4.34 | -20.85 | 0 | 7 | 0 | 76 | 388.493 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 6.6 | -53.96 | 1 | 7 | 1 | 77 | 389.501 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.