In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-1-(5-methyl-2-thienyl)-1-morpholino-butan-2-amine (1S,2S)-1-(5-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) | 1.63 | 2.85 | -41.77 | 3 | 3 | 1 | 40 | 255.407 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.63 | 2.53 | -2.75 | 2 | 3 | 0 | 38 | 254.399 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.63 | 5.41 | -112 | 4 | 3 | 2 | 41 | 256.415 | 4 | ↓ |