UCSF

ZINC98091031

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 25 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) 1.81 5.78 -14.41 4 7 0 106 342.399 9
Mid Mid (pH 6-8) 1.81 6.25 -32.09 5 7 1 108 343.407 9
Lo Low (pH 4.5-6) 1.81 6.13 -85.24 6 7 2 109 344.415 9

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

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