In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 27th, 2011 | 25 | 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) | 1.41 | 7.5 | -50.93 | 3 | 7 | 1 | 95 | 344.391 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 7.03 | -27.39 | 2 | 7 | 0 | 93 | 343.383 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.