UCSF

ZINC72354151

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2012 31 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) 3.18 12.78 -22.35 0 6 0 64 437.975 5
Mid Mid (pH 6-8) 3.18 13.39 -46.34 1 6 1 65 438.983 5

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

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