UCSF

ZINC54794650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 0.32 3.35 -38.38 3 4 1 55 196.274 3
Hi High (pH 8-9.5) 0.32 2.16 -8.53 2 4 0 50 195.266 3
Lo Low (pH 4.5-6) 0.32 3.79 -104.66 4 4 2 56 197.282 3

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

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