UCSF

ZINC27845452

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 24 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) 2.80 6.59 -44.43 2 4 1 43 330.448 1
Hi High (pH 8-9.5) 2.80 4.58 -5.14 1 4 0 42 329.44 1

Activity (Go SEA)

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