UCSF

ZINC63952435

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 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) 1.21 5.98 -44.91 1 5 1 60 321.404 3
Mid Mid (pH 6-8) 1.21 8.12 -111.05 2 5 2 61 322.412 3

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

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