UCSF

ZINC19725879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 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) 1.25 5.92 -96.48 3 3 2 24 235.375 4
Hi High (pH 8-9.5) 1.25 2.94 -39.57 2 3 1 23 234.367 4
Hi High (pH 8-9.5) 1.25 4.51 -32.53 2 3 1 20 234.367 4

Activity (Go SEA)

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