UCSF

ZINC36160652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.44 1.84 -64.59 3 5 1 78 299.416 4
Lo Low (pH 4.5-6) 0.44 3.62 -155.1 4 5 2 79 300.424 4

Activity (Go SEA)

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