UCSF

ZINC19808896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 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) 3.55 12.8 -96.67 3 5 2 47 411.59 10
Hi High (pH 8-9.5) 3.55 10.28 -48.42 2 5 1 46 410.582 10

Activity (Go SEA)

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