UCSF

ZINC53628714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 33 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) 3.54 12.12 -50.29 3 7 1 98 448.474 6
Mid Mid (pH 6-8) 3.54 11.63 -24.61 2 7 0 97 447.466 6

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

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