UCSF

ZINC39303118

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 38 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) 5.50 13.76 -56.87 4 6 1 75 507.658 8
Hi High (pH 8-9.5) 5.68 11.41 -40.87 3 6 0 81 506.65 8

Activity (Go SEA)

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