In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 17 | Yes |
Popular Name: 1-[(2S)-4-[(5-bromo-2-thienyl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-[(5-bromo-2-thienyl)me…
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) | 2.44 | 5.69 | -35.12 | 1 | 3 | 1 | 17 | 320.276 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 3.16 | -3.74 | 0 | 3 | 0 | 16 | 319.268 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.