UCSF

ZINC64970374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 27 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) 2.21 6.74 -43.67 2 7 1 75 379.525 10
Hi High (pH 8-9.5) 2.21 4.46 -13.51 1 7 0 74 378.517 10

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

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