In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 21 | Yes |
Popular Name: N-[[4-fluoro-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzothiophen-2-yl]methyl]ethanamine N-[[4-fluoro-3-[[(2R)-2-methylpy…
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) | 3.66 | 10.16 | -101.17 | 3 | 2 | 2 | 21 | 308.466 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 9.07 | -25.08 | 2 | 2 | 1 | 16 | 307.458 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.