In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2010 | 22 | Yes |
Popular Name: methyl 3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanoate methyl 3-(1H-imidazol-4-yl)-2-(3…
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CAS Number: 1397006-99-3
None
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) | 1.62 | 7.51 | -16.19 | 2 | 6 | 0 | 84 | 301.346 | 8 | ↓ |
Ref Reference (pH 7) | 1.62 | 7.99 | -48.68 | 3 | 6 | 1 | 85 | 302.354 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 7.97 | -48.84 | 3 | 6 | 1 | 85 | 302.354 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 7.47 | -16.2 | 2 | 6 | 0 | 84 | 301.346 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 152 - 154 | Enamine Building Blocks |
MP | 152...154 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |