UCSF

ZINC33595692

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 0.16 9.88 -37.81 2 10 0 149 425.397 5
Hi High (pH 8-9.5) 0.16 7.46 -47.39 1 10 -1 145 424.389 5

Activity (Go SEA)

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