UCSF

ZINC36992325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 5.59 10.21 -45.49 2 1 1 17 334.814 5
Hi High (pH 8-9.5) 5.59 9.07 -2.92 1 1 0 12 333.806 5

Activity (Go SEA)

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