UCSF

ZINC39759909

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 37 No

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) 4.92 9.05 -26.68 2 10 0 143 493.479 7
Hi High (pH 8-9.5) 4.99 6.4 -52.85 1 10 -1 149 492.471 7

Activity (Go SEA)

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