UCSF

ZINC62321306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 28 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) 4.23 11.82 -14.06 0 4 0 50 390.87 4
Lo Low (pH 4.5-6) 4.23 12.21 -47.89 1 4 1 52 391.878 4

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

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