In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | No |
Popular Name: 4-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)benzoic 4-(1,3-dihydrothieno[3,4-b]quino…
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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) | 4.53 | 9.42 | -56.35 | 2 | 4 | 0 | 70 | 322.389 | 2 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 9.99 | -65.89 | 2 | 4 | 0 | 66 | 322.389 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 9.61 | -51.89 | 1 | 4 | -1 | 65 | 321.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.