UCSF

ZINC98072835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2014 22 Yes

Other Names:

MFCD26143309

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) 5.10 6.64 -36.05 0 3 -1 48 458.073 4
Lo Low (pH 4.5-6) 5.10 6.57 -8.22 1 3 0 46 459.081 4

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

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