In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 24 | 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) | 2.20 | 4.92 | -25.13 | 2 | 7 | 0 | 101 | 349.412 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 4.44 | -56.54 | 1 | 7 | -1 | 99 | 348.404 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.