In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 28 | Yes |
Popular Name: BRD-K97420015-001-01-0 BRD-K97420015-001-01-0
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CAS Number: 444161-07-3
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) | 3.69 | 0.4 | -16.21 | 1 | 6 | 0 | 84 | 397.5 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 0.54 | -51.31 | 2 | 6 | 1 | 85 | 398.508 | 6 | ↓ |