UCSF

ZINC39724058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 24 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) 4.98 10.13 -16.33 1 4 0 55 420.357 5
Hi High (pH 8-9.5) 5.17 8.35 -44.98 0 4 -1 61 419.349 5

Activity (Go SEA)

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