UCSF

ZINC53446219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.70 4.11 -84.95 3 4 2 34 243.395 7
Hi High (pH 8-9.5) 0.70 0.67 -2.15 1 4 0 28 241.379 7
Hi High (pH 8-9.5) 0.70 2.9 -30.39 2 4 1 29 242.387 7
Hi High (pH 8-9.5) 0.70 1.9 -35.77 2 4 1 32 242.387 7

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

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