UCSF

ZINC19441758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 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) -0.35 3.99 -55.02 0 5 -1 65 255.681 3
Lo Low (pH 4.5-6) -0.35 4.18 -44.08 1 5 0 67 256.689 3

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

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