UCSF

ZINC31890273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

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) 3.04 5.22 -5.15 0 2 0 16 228.386 2
Hi High (pH 8-9.5) 3.04 5.64 -28.07 1 2 1 17 229.394 2
Hi High (pH 8-9.5) 3.04 6.11 -31.32 1 2 0 17 228.386 2

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