UCSF

ZINC58534247

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 31 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) 5.27 9.92 -61.22 2 4 1 47 431.943 1
Hi High (pH 8-9.5) 5.27 7.61 -11.6 1 4 0 46 430.935 1

Activity (Go SEA)

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