UCSF

ZINC71554915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 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) 1.00 2.15 -30.53 2 8 0 122 381.435 6
Hi High (pH 8-9.5) 1.46 -0.48 -67.55 1 8 -1 125 380.427 6

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

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