UCSF

ZINC20900865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 5.07 8.04 -39.56 0 4 -1 61 422.299 3
Mid Mid (pH 6-8) 5.07 8.45 -18.43 1 4 0 59 423.307 3

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

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