In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 38 | No |
Popular Name: BRD-K70637431-001-02-4 BRD-K70637431-001-02-4
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) | 3.13 | 9.91 | -80.81 | 3 | 10 | 1 | 122 | 548.73 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 8.35 | -47.64 | 2 | 10 | 0 | 120 | 547.722 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.