UCSF

ZINC40123169

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 4.37 7.3 -57.91 1 5 -1 78 402.829 7
Lo Low (pH 4.5-6) 4.37 6.55 -12.04 2 5 0 76 403.837 7

Activity (Go SEA)

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