UCSF

ZINC24567971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.63 5.81 -17.58 2 7 0 104 405.549 7
Lo Low (pH 4.5-6) 2.63 6.2 -42.19 3 7 1 105 406.557 7

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

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