In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 32 | No |
Popular Name: BRD-A42528381-001-01-4 BRD-A42528381-001-01-4
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) | 2.32 | 9.08 | -49.85 | 0 | 8 | -1 | 105 | 454.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 1 | -18.3 | 0 | 8 | 0 | 98 | 455.467 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 0.79 | -28.47 | 1 | 8 | 0 | 101 | 455.467 | 5 | ↓ |