UCSF

ZINC39327952

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 3.88 6.99 -11.7 3 5 0 81 416.497 4
Lo Low (pH 4.5-6) 3.88 7.33 -35.68 4 5 1 82 417.505 4

Activity (Go SEA)

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