UCSF

ZINC36712858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 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) 6.79 16.05 -18.05 0 5 0 59 500.627 5
Lo Low (pH 4.5-6) 6.79 16.73 -41.38 1 5 1 60 501.635 5

Activity (Go SEA)

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