UCSF

ZINC39020009

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 16 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) -0.59 -2.85 -10.38 2 6 0 73 232.28 5
Lo Low (pH 4.5-6) -0.59 -0.62 -46.07 3 6 1 74 233.288 5

Activity (Go SEA)

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