UCSF

ZINC36680125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.63 4.69 -35.36 4 3 1 61 207.297 4
Hi High (pH 8-9.5) -0.66 4.83 -8.57 4 3 0 61 206.289 4

Activity (Go SEA)

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