UCSF

ZINC71508338

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 12 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) 0.95 5.12 -43.59 3 1 1 28 202.73 2
Hi High (pH 8-9.5) 0.95 4.74 -1.87 2 1 0 26 201.722 2

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

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