UCSF

ZINC37921342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 18 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) -2.72 -3.76 -21.73 4 10 0 153 272.246 4
Mid Mid (pH 6-8) -2.27 -5.32 -43.29 3 10 -1 157 271.238 4

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

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