| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | No |
Popular Name: (4S)-N-[2-(4-nitrophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(4-nitrophenyl)ethyl]-…
| 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) | 2.95 | 9.37 | -7.89 | 1 | 4 | 0 | 58 | 302.399 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 10.44 | -58.2 | 2 | 4 | 1 | 62 | 303.407 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
