UCSF

ZINC95883422

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 15 Yes

CAS Number: 16620-52-3

Other Names:

MFCD00005630

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) 1.92 5.01 -96.46 2 3 2 28 206.289 3
Mid Mid (pH 6-8) 1.92 2.59 -29.01 1 3 1 26 205.281 3

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

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