UCSF

ZINC68850026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 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) 2.45 6.97 -56.89 0 5 -1 71 241.226 2
Mid Mid (pH 6-8) 2.45 7.45 -50.46 1 5 0 72 242.234 2

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

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