In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 26 | Yes |
Popular Name: BRD-A13060973-001-01-7 BRD-A13060973-001-01-7
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) | 2.01 | 2.59 | -12.68 | 2 | 6 | 0 | 95 | 348.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 3.35 | -49.43 | 1 | 6 | -1 | 97 | 347.398 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 3.35 | -49.92 | 1 | 6 | -1 | 97 | 347.398 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.01 | 4.53 | -54.39 | 3 | 6 | 1 | 96 | 349.414 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.01 | 4.53 | -56.39 | 3 | 6 | 1 | 96 | 349.414 | 4 | ↓ |