UCSF

ZINC38916339

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 12 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) -3.57 -10.81 -41.14 7 6 1 118 180.18 1
Mid Mid (pH 6-8) -3.57 -11.22 -8.84 6 6 0 116 179.172 1

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

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