UCSF

ZINC36783402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 2.18 7.12 -123.31 4 2 2 32 256.34 5
Hi High (pH 8-9.5) 2.18 7.12 -32.67 3 2 1 30 255.332 5
Mid Mid (pH 6-8) 2.18 5.76 -45.58 3 2 1 31 255.332 5

Activity (Go SEA)

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