In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 30 | Yes |
Popular Name: (NE)-3,4-dimethoxy-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-3H-thiazol-2-ylidene]benzamide (NE)-3,4-dimethoxy-N-[4-(5-metho…
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) | 3.61 | 7.5 | -15.75 | 2 | 7 | 0 | 85 | 423.494 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.68 | 6.82 | -53.08 | 1 | 7 | -1 | 92 | 422.486 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 7.5 | -40.54 | 2 | 7 | 1 | 84 | 424.502 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 7.5 | -40.53 | 2 | 7 | 1 | 84 | 424.502 | 6 | ↓ |