UCSF

ZINC54896212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) 1.12 6.23 -44.23 3 3 1 44 266.434 1
Hi High (pH 8-9.5) 1.12 5.9 -6.51 2 3 0 42 265.426 1
Mid Mid (pH 6-8) 1.12 6.61 -91.75 4 3 2 45 267.442 1

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

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