In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 20 | Yes |
Popular Name: (3S)-2-[(3-bromo-2-thienyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(3-bromo-2-thienyl)methy…
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) | 1.54 | 10.41 | -23.6 | 1 | 3 | 0 | 45 | 352.253 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 8.22 | -47.25 | 0 | 3 | -1 | 43 | 351.245 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.