UCSF

ZINC43973366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 26 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) 2.68 9.79 -50.52 2 5 1 48 356.49 7
Hi High (pH 8-9.5) 2.68 7.52 -14.23 1 5 0 47 355.482 7

Activity (Go SEA)

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