UCSF

ZINC21994055

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.00 1.75 -20.23 1 5 0 62 242.3 2
Mid Mid (pH 6-8) 1.46 1.11 -50.81 0 5 -1 65 241.292 2

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

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