In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2014 | 15 | Yes |
Popular Name: (S)-2-(Benzo[b]thiophen-3-ylamino)propanoicacid (S)-2-(Benzo[b]thiophen-3-ylamin…
Find On: PubMed — Wikipedia — Google
CAS Number: 72120-71-9
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) | 1.48 | 6.26 | -44.28 | 1 | 3 | -1 | 52 | 220.273 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.48 | 6.28 | -28.71 | 2 | 3 | 0 | 57 | 221.281 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.