UCSF

ZINC55104094

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 4.76 8.19 -10.71 1 5 0 64 328.412 5
Mid Mid (pH 6-8) 4.76 9.18 -58.97 0 5 -1 67 327.404 5
Lo Low (pH 4.5-6) 4.76 8.51 -35.46 2 5 1 66 329.42 5

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

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