In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 18 | Yes |
Popular Name: (4S)-N-[2-(1-piperidyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(1-piperidyl)ethyl]-4,…
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) | 2.12 | 7.93 | -34.82 | 2 | 2 | 1 | 16 | 265.446 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 9.11 | -120.81 | 3 | 2 | 2 | 21 | 266.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 6.9 | -39.17 | 2 | 2 | 1 | 20 | 265.446 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.