In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 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) | 0.04 | 2.95 | -39.73 | 1 | 9 | -1 | 116 | 348.383 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.42 | 2.46 | -13.16 | 2 | 9 | 0 | 113 | 349.391 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.