UCSF

ZINC95878055

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 11 Yes

CAS Number: 7355-55-7

Other Names:

MFCD00079103

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) -1.37 -1.61 -40.81 2 5 -1 88 149.133 0
Hi High (pH 8-9.5) -1.55 -2.2 -107.95 1 5 -2 87 148.125 0
Mid Mid (pH 6-8) -1.55 -1.14 -58.81 2 5 -1 85 149.133 0
Mid Mid (pH 6-8) -1.55 -0.69 -40.36 3 5 0 86 150.141 0
Mid Mid (pH 6-8) -2.01 0.92 -17.82 3 5 0 82 150.141 0
Lo Low (pH 4.5-6) -2.01 1.36 -39.09 4 5 1 83 151.149 0

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

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