UCSF

ZINC49567475

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 1.34 5.41 -104.77 3 3 2 24 239.407 5
Hi High (pH 8-9.5) 1.34 2.95 -38.66 2 3 1 23 238.399 5
Mid Mid (pH 6-8) 1.34 6.77 -76.35 3 3 2 21 239.407 5

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

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