In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | 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) | 1.74 | 9.9 | -57.88 | 2 | 4 | 1 | 57 | 306.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 7.33 | -18.65 | 1 | 4 | 0 | 56 | 305.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.