In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 23 | Yes |
Popular Name: BRD-K99641154-001-01-0 BRD-K99641154-001-01-0
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) | 2.59 | -3.7 | -12.16 | 5 | 6 | 0 | 106 | 343.334 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.59 | -3.47 | -40.54 | 6 | 6 | 1 | 108 | 344.342 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.59 | -3.31 | -109.74 | 7 | 6 | 2 | 109 | 345.35 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.