UCSF

ZINC00749155

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 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) 2.42 -4.51 -13.75 3 7 0 86 395.507 6
Lo Low (pH 4.5-6) 2.42 -4.4 -47.88 4 7 1 87 396.515 6

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

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