UCSF

ZINC62156696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 25 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) 1.75 5.77 -71.67 2 7 0 104 383.495 9
Hi High (pH 8-9.5) 1.75 3.61 -56.37 1 7 -1 102 382.487 9

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

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