UCSF

ZINC62038494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 34 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) 6.83 9.29 -18.44 3 6 0 95 493.654 6
Hi High (pH 8-9.5) 7.29 7.97 -50.43 2 6 -1 98 492.646 6

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

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