UCSF

ZINC37323614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 1.77 9.17 -49.85 3 3 1 45 280.395 5
Hi High (pH 8-9.5) 1.77 8.85 -9.03 2 3 0 44 279.387 5
Mid Mid (pH 6-8) 1.77 9.41 -111.96 4 3 2 47 281.403 5

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

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