UCSF

ZINC42779785

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.74 7.71 -81.38 3 3 2 24 259.482 10
Hi High (pH 8-9.5) 2.74 6.67 -99.01 3 3 2 24 259.482 10
Hi High (pH 8-9.5) 2.74 5.24 -34.62 2 3 1 23 258.474 10

Activity (Go SEA)

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