UCSF

ZINC41657074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 12 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) 0.51 0.59 -50.19 3 3 1 53 198.296 2
Mid Mid (pH 6-8) 0.51 0.18 -7.05 2 3 0 52 197.288 2

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

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