UCSF

ZINC54897599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 2.34 7.69 -49.37 3 3 1 44 306.43 2
Mid Mid (pH 6-8) 2.34 7.37 -7.91 2 3 0 42 305.422 2
Lo Low (pH 4.5-6) 2.34 8.13 -92.16 4 3 2 45 307.438 2

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

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