UCSF

ZINC62876724

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 17 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) 1.04 8.79 -111.9 2 4 1 49 241.355 4
Mid Mid (pH 6-8) 1.04 6.36 -48.37 1 4 0 48 240.347 4

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

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