UCSF

ZINC91676073

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2013 19 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) 3.68 9.89 -55.6 0 3 -1 57 259.325 3
Lo Low (pH 4.5-6) 3.68 8.3 -9.39 1 3 0 54 260.333 3

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

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