UCSF

ZINC95883357

Substance Information

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

Other Names:

MFCD00893540

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) 0.97 2.95 -10.28 1 3 0 37 199.257 1
Lo Low (pH 4.5-6) 0.97 4.36 -45.07 2 3 1 42 200.265 1

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

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