In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 19 | Yes |
Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]piperazine-1-sulfonamide N-[(4S)-4,5,6,7-tetrahydrobenzot…
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) | 0.76 | 2.07 | -58.64 | 3 | 5 | 1 | 66 | 302.445 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 0.8 | -8.29 | 2 | 5 | 0 | 61 | 301.437 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.