In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 18 | Yes |
Popular Name: 3-[[(S)-(5-chloro-2-thienyl)-(2-thienyl)methyl]amino]propanoic 3-[[(S)-(5-chloro-2-thienyl)-(2-…
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) | 3.39 | 8.33 | -45.95 | 2 | 3 | 0 | 57 | 301.82 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 7.11 | -43.62 | 1 | 3 | -1 | 52 | 300.812 | 6 | ↓ |