UCSF

ZINC37916230

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) 1.62 -0.78 -127.75 0 6 -2 90 246.222 3
Mid Mid (pH 6-8) 1.16 1.96 -44.26 1 6 -1 87 247.23 3

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

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