UCSF

ZINC54418591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 14 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) -2.38 -0.33 -47.74 7 7 1 122 198.254 4
Lo Low (pH 4.5-6) -2.38 0.03 -88.04 8 7 2 123 199.262 4
Lo Low (pH 4.5-6) -2.38 1.98 -115.65 8 7 2 123 199.262 4

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

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