UCSF

ZINC98215057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 31 Yes

CAS Number: 33818-15-4

Other Names:

MFCD00037486

Download: MOL2 SDF SMILES Flexibase

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) -5.45 0.05 -169.88 4 15 -1 219 487.319 10
Lo Low (pH 4.5-6) -5.45 -1.14 -80.61 5 15 0 216 488.327 10

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

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