UCSF

ZINC69808405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 18 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) 1.03 1.57 -6.28 1 6 0 60 252.318 5
Mid Mid (pH 6-8) 1.03 3.84 -40.08 2 6 1 61 253.326 5
Lo Low (pH 4.5-6) 1.03 4.23 -88.35 3 6 2 62 254.334 5

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

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