In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[(1-aminocyclohexanecarbonyl)amino]-3-(2-thienyl)propanoic (3S)-3-[(1-aminocyclohexanecarbo…
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) | 1.80 | 4.5 | -78.9 | 4 | 5 | 0 | 97 | 296.392 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 4.22 | -50.16 | 3 | 5 | -1 | 95 | 295.384 | 5 | ↓ |