UCSF

ZINC15015634

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 22 No

Other Names:

MFCD01919710

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) 5.39 5.57 -7.66 2 4 0 65 375.247 2
Ref Reference (pH 7) 5.39 6 -7.85 2 4 0 65 375.247 2
Hi High (pH 8-9.5) 5.39 6.35 -39.38 1 4 -1 68 374.239 2
Hi High (pH 8-9.5) 5.39 6.78 -38.91 1 4 -1 68 374.239 2

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

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