UCSF

ZINC95863116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 16 Yes

CAS Number: 526-31-8

Other Names:

MFCD00005645

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) -0.31 4.97 -65.34 3 4 1 71 219.264 4
Hi High (pH 8-9.5) -0.31 3.88 -51.29 2 4 0 66 218.256 4

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

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