UCSF

ZINC36690296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 6.14 14.21 -35.93 1 5 1 47 446.596 9
Hi High (pH 8-9.5) 6.14 12.1 -10.38 0 5 0 46 445.588 9

Activity (Go SEA)

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