In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: N-[(S)-(7-chloro-1,3-benzodioxol-5-yl)-thiazol-2-yl-methyl]propan-1-amine N-[(S)-(7-chloro-1,3-benzodioxol…
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) | 3.31 | 5.95 | -42.14 | 2 | 4 | 1 | 48 | 311.814 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 4.86 | -7.29 | 1 | 4 | 0 | 43 | 310.806 | 5 | ↓ |