UCSF

ZINC86860266

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 22 Yes

Popular Name: (1'R,3'S,3S,5R,6R)-5-AMINO-2-AMINOMETHYL-6-(4,6-DIAMINO-2,3-DIHYDROXY-CYCLOHEXYLOXY)-TETRAHYDRO-PYRAN-3,4-DIOL (1'R,3'S,3S,5R,6R)-5-AMINO-2-AMI…

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CAS Number: 3947-65-7

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Vendors

Physical Representations

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) -5.26 -14.81 -195.43 15 10 3 208 325.386 3 ↓
Hi High (pH 8-9.5) -5.26 -15.04 -112.16 14 10 2 207 324.378 3 ↓
Hi High (pH 8-9.5) -5.26 -15.2 -107.84 14 10 2 207 324.378 3 ↓
Hi High (pH 8-9.5) -5.26 -15.51 -48.69 13 10 1 205 323.37 3 ↓
Mid Mid (pH 6-8) -5.26 -14.41 -291.2 16 10 4 210 326.394 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.