In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 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) | 1.05 | -3.88 | -24.94 | 2 | 7 | 0 | 100 | 358.423 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.05 | -3.83 | -42.86 | 3 | 7 | 1 | 101 | 359.431 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.