UCSF

ZINC98177459

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2014 28 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) 2.62 9.03 -13.14 2 5 0 73 392.48 6
Mid Mid (pH 6-8) 2.62 9.32 -56.28 3 5 1 74 393.488 6

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

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