UCSF

ZINC86863053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 17 No

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) 2.33 5.64 -8.09 2 4 0 45 228.299 3
Mid Mid (pH 6-8) 2.33 6.38 -57.56 3 4 0 47 229.307 3
Lo Low (pH 4.5-6) 2.33 7.41 -55.3 4 4 0 48 230.315 3

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

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