UCSF

ZINC39759052

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 1.37 6.47 -21.38 2 9 0 111 462.601 9
Lo Low (pH 4.5-6) 1.37 7.61 -43.83 3 9 1 112 463.609 9

Activity (Go SEA)

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