UCSF

ZINC54770601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) 0.87 2.26 -41.53 2 4 1 42 242.368 5
Mid Mid (pH 6-8) 0.87 0.62 -5.49 1 4 0 37 241.36 5
Lo Low (pH 4.5-6) 0.87 4.14 -122.12 3 4 2 43 243.376 5
Lo Low (pH 4.5-6) 0.87 3.06 -36.58 2 4 1 39 242.368 5

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

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