UCSF

ZINC95890235

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 20 Yes

CAS Number: 10379-14-3

Other Names:

MFCD01744820

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) 3.68 7.18 -5.07 1 3 0 32 290.794 1
Lo Low (pH 4.5-6) 3.68 7.99 -40.24 2 3 1 37 291.802 1

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

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