UCSF

ZINC37270108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 12 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) -0.50 0.7 -105.81 5 4 2 61 175.276 5
Hi High (pH 8-9.5) -0.50 0.33 -37.75 4 4 1 60 174.268 5
Hi High (pH 8-9.5) -0.50 -1.28 -48.43 4 4 1 60 174.268 5

Activity (Go SEA)

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