In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 18 | Yes |
Popular Name: (1S)-N-methyl-1-(5-methyl-2-thienyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (1S)-N-methyl-1-(5-methyl-2-thie…
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) | 3.30 | 6.36 | -6.2 | 1 | 2 | 0 | 25 | 278.446 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 7.67 | -33.73 | 2 | 2 | 1 | 29 | 279.454 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.