UCSF

ZINC20362633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 2.66 3.85 -39.4 3 4 1 49 337.658 3
Mid Mid (pH 6-8) 2.66 4.74 -42.16 3 4 1 46 337.658 3
Lo Low (pH 4.5-6) 2.66 6.13 -117.94 4 4 2 50 338.666 3

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

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