In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 28 | 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) | 3.26 | 7.58 | -16.67 | 2 | 7 | 0 | 91 | 380.448 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 5.97 | -56.21 | 1 | 7 | -1 | 94 | 379.44 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 7.7 | -39.42 | 3 | 7 | 1 | 92 | 381.456 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.