In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 31 | No |
Popular Name: BRD-A62010311-001-01-3 BRD-A62010311-001-01-3
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) | 2.08 | 8.72 | -61.95 | 0 | 6 | -1 | 86 | 450.565 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 8.75 | -22.98 | 0 | 6 | 0 | 80 | 451.573 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 8.05 | -52.43 | 2 | 6 | 1 | 85 | 452.581 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 9.03 | -50.39 | 1 | 6 | 1 | 81 | 452.581 | 6 | ↓ |