In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 20 | Yes |
Popular Name: 1-(4-aminophenyl)-3-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]urea 1-(4-aminophenyl)-3-[(4S)-4,5,6,…
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) | 1.61 | 4.36 | -10.84 | 4 | 4 | 0 | 67 | 287.388 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | 4.23 | -48.47 | 5 | 4 | 1 | 69 | 288.396 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.