In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 18 | Yes |
Popular Name: N-[(1R,2S)-1-(4-ethyl-5-methyl-thiazol-2-yl)-1,2-dimethyl-butyl]cyclopropanamine N-[(1R,2S)-1-(4-ethyl-5-methyl-t…
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) | 3.80 | 7.15 | -29.56 | 2 | 2 | 1 | 29 | 267.462 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 6.03 | -5 | 1 | 2 | 0 | 25 | 266.454 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.80 | 8.32 | -89.49 | 3 | 2 | 2 | 31 | 268.47 | 6 | ↓ |