UCSF

ZINC41470244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.11 6.64 -41.13 2 6 1 66 270.316 4
Mid Mid (pH 6-8) 1.11 6.18 -12.41 1 6 0 65 269.308 4
Lo Low (pH 4.5-6) 1.11 7.09 -81.87 3 6 2 67 271.324 4

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

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