UCSF

ZINC36717646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 5.82 16.72 -61.9 1 4 1 38 495.109 11
Hi High (pH 8-9.5) 5.82 14.63 -15.75 0 4 0 36 494.101 11

Activity (Go SEA)

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