UCSF

ZINC59090634

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 21 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) 4.96 12.43 -105.38 3 2 2 21 292.511 12
Hi High (pH 8-9.5) 4.96 10.63 -37.41 2 2 1 20 291.503 12
Hi High (pH 8-9.5) 4.96 11.25 -29.54 2 2 1 16 291.503 12

Activity (Go SEA)

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