UCSF

ZINC25496803

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 4.68 7.08 -54.62 4 3 1 57 330.407 4
Hi High (pH 8-9.5) 4.68 7.71 -75.85 3 3 0 60 329.399 4
Hi High (pH 8-9.5) 4.68 5.63 -12.81 3 3 0 52 329.399 4

Activity (Go SEA)

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