UCSF

ZINC54417438

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 17 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) 0.30 3.12 -54.88 3 5 1 74 234.279 4
Hi High (pH 8-9.5) 0.30 2.72 -18.02 2 5 0 72 233.271 4

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

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