UCSF

ZINC22997156

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 Yes

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) 5.82 10.32 -28.36 1 4 1 31 421.011 6
Mid Mid (pH 6-8) 5.82 12.65 -100.41 2 4 2 33 422.019 6

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

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