UCSF

ZINC61744679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 17 Yes

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) 0.99 2.98 -8.72 0 4 0 42 229.283 2
Lo Low (pH 4.5-6) 0.99 3.3 -33.17 1 4 1 43 230.291 2

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

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