UCSF

ZINC69570131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 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) 1.30 4.01 -45.47 0 8 -1 95 345.408 4
Mid Mid (pH 6-8) 1.30 4.39 -27.71 1 8 0 96 346.416 4
Lo Low (pH 4.5-6) 1.30 3.98 -14.64 1 8 0 93 346.416 4

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

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