UCSF

ZINC58332039

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 21 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) 2.05 3.07 -41.75 1 6 -1 90 302.697 2
Lo Low (pH 4.5-6) 1.86 5.36 -20.37 2 6 0 84 303.705 3
Lo Low (pH 4.5-6) 1.86 5.04 -10.61 2 6 0 84 303.705 2

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

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