UCSF

ZINC38576773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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) 0.64 0.66 -8.89 4 7 0 109 242.242 2
Lo Low (pH 4.5-6) 0.64 1.7 -34.66 5 7 1 110 243.25 2

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

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