UCSF

ZINC49326905

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 16 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) 0.47 5.41 -42.69 2 4 1 38 223.344 5
Mid Mid (pH 6-8) 0.47 5.92 -77.97 3 4 2 39 224.352 5
Lo Low (pH 4.5-6) 0.47 8.15 -168.95 4 4 3 40 225.36 5

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

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