UCSF

ZINC39321640

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 Yes

CAS Number: 4033-27-6

Other Names:

MFCD00083619

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -3.45 2 -166.03 4 13 -3 211 440.396 9
Hi High (pH 8-9.5) -3.45 1.97 -131.95 5 13 -2 214 441.404 9
Mid Mid (pH 6-8) -3.45 3.01 -150.69 5 13 -2 213 441.404 9
Lo Low (pH 4.5-6) -3.45 0.99 -98.93 6 13 -1 210 442.412 9

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

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