UCSF

ZINC95079182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.12 -9.44 -50.68 5 10 -1 158 281.252 2
Mid Mid (pH 6-8) -3.12 -9.16 -79.77 6 10 0 159 282.26 2

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

No pre-computed analogs available. Try a structural similarity search.