UCSF

ZINC59551055

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.35 -1.66 -43.02 4 4 1 66 188.247 1
Hi High (pH 8-9.5) -0.35 -1.92 -4.45 3 4 0 65 187.239 1

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