In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 14 | Yes |
Popular Name: (1R)-1-(3-methyl-2-thienyl)-1-[(2S)-pyrrolidin-2-yl]ethanol (1R)-1-(3-methyl-2-thienyl)-1-[(…
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) | 2.16 | 3.6 | -32.98 | 3 | 2 | 1 | 37 | 212.338 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 2.17 | -2.04 | 2 | 2 | 0 | 32 | 211.33 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.