In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: (2S)-1-(2-furylmethoxy)-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propan-2-ol (2S)-1-(2-furylmethoxy)-3-[[(4S)…
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) | 1.38 | 4.91 | -46.56 | 3 | 4 | 1 | 59 | 308.423 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 3.77 | -9.25 | 2 | 4 | 0 | 55 | 307.415 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.