In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 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) | 0.90 | 2.97 | -94.8 | 4 | 8 | 0 | 132 | 382.467 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 1.64 | -70.23 | 3 | 8 | -1 | 127 | 381.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.