UCSF

ZINC67934516

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 19 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) -0.60 0.25 -49.05 4 6 1 78 266.369 6
Mid Mid (pH 6-8) -0.60 2.52 -102.47 5 6 2 79 267.377 6
Lo Low (pH 4.5-6) -0.60 2.87 -182.95 6 6 3 80 268.385 6

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

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