In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 15 | Yes |
Popular Name: (1R)-1-[2-[(2S)-2-ethylpyrrolidin-1-yl]thiazol-5-yl]ethanamine (1R)-1-[2-[(2S)-2-ethylpyrrolidi…
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) | 0.47 | 4.9 | -43.45 | 3 | 3 | 1 | 44 | 226.369 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 4.57 | -5.93 | 2 | 3 | 0 | 42 | 225.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.