UCSF

ZINC31965086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.51 1.92 -56.25 5 5 1 86 270.74 5
Hi High (pH 8-9.5) 1.51 1.53 -15.49 4 5 0 84 269.732 5

Activity (Go SEA)

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