In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 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) | -0.15 | 3.61 | -18.1 | 1 | 7 | 0 | 72 | 331.42 | 5 | ↓ |
Lo Low (pH 4.5-6) | -0.15 | 5.84 | -46.1 | 2 | 7 | 1 | 73 | 332.428 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.