UCSF

ZINC54935210

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 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) -0.47 7.81 -49.18 0 5 -1 69 220.252 5
Mid Mid (pH 6-8) -0.47 8.25 -51.5 1 5 0 70 221.26 5

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

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