UCSF

ZINC95889635

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 18 Yes

CAS Number: 102518-79-6

Other Names:

MFCD01714949

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) 2.16 3.92 -11.93 2 3 0 55 242.322 0
Lo Low (pH 4.5-6) 2.16 3.94 -64.88 3 3 1 57 243.33 0

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

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