In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]ethanamine (1S)-1-(2-tert-butyl-4-methyl-th…
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) | 4.68 | 9.39 | -42.44 | 2 | 2 | 1 | 29 | 293.5 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.68 | 8.25 | -3.73 | 1 | 2 | 0 | 25 | 292.492 | 5 | ↓ |