In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 20 | Yes |
Popular Name: (1R)-N,N-diethyl-1-phenyl-N'-(thiazol-4-ylmethyl)ethane-1,2-diamine (1R)-N,N-diethyl-1-phenyl-N'-(th…
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) | 3.03 | 7 | -3.47 | 1 | 3 | 0 | 28 | 289.448 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 7.24 | -30.1 | 2 | 3 | 1 | 29 | 290.456 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 6.35 | -36.79 | 2 | 3 | 1 | 33 | 290.456 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 7.96 | -114.11 | 3 | 3 | 2 | 34 | 291.464 | 8 | ↓ |