In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 17 | Yes |
Popular Name: (2S)-3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methyl-propanoic (2S)-3-[cyclobutylmethyl(methyl)…
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) | -0.76 | 7.98 | -66.6 | 3 | 4 | 1 | 61 | 241.355 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.76 | 6.84 | -32.65 | 2 | 4 | 0 | 57 | 240.347 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.76 | 6.14 | -32.09 | 2 | 4 | 0 | 60 | 240.347 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.