UCSF

ZINC49329687

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 14 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) 1.27 6.56 -49.93 2 3 1 34 194.302 4
Mid Mid (pH 6-8) 1.27 7.04 -97.8 3 3 2 36 195.31 4

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

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