UCSF

ZINC52416542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.09 2.79 -46.63 3 3 1 44 266.415 3
Mid Mid (pH 6-8) 1.09 2.38 -6.25 2 3 0 42 265.407 3
Lo Low (pH 4.5-6) 1.09 4.99 -100.4 4 3 2 45 267.423 3

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

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