UCSF

ZINC22726574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.93 2.17 -15.4 3 5 0 82 270.288 3
Hi High (pH 8-9.5) 1.93 3.08 -58.74 2 5 -1 85 269.28 3
Lo Low (pH 4.5-6) 1.93 2.66 -39.59 4 5 1 84 271.296 3

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

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