UCSF

ZINC52855113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.68 7.14 -12.68 2 5 0 62 255.325 3
Mid Mid (pH 6-8) 0.68 8.1 -84.5 4 5 2 64 257.341 3
Mid Mid (pH 6-8) 0.68 7.58 -34.24 3 5 1 63 256.333 3
Mid Mid (pH 6-8) 0.68 7.65 -45.23 3 5 1 63 256.333 3

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

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