In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 20 | Yes |
Popular Name: N-[(3-methyl-2-thienyl)methyl]-2-[(3R)-3-(trifluoromethyl)-1-piperidyl]ethanamine N-[(3-methyl-2-thienyl)methyl]-2…
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) | 3.50 | 6.79 | -43.39 | 2 | 2 | 1 | 20 | 307.405 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 5.42 | -3.43 | 1 | 2 | 0 | 15 | 306.397 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 7.65 | -41.4 | 2 | 2 | 1 | 16 | 307.405 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 9.01 | -128.33 | 3 | 2 | 2 | 21 | 308.413 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.