UCSF

ZINC55078238

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 0.78 1.9 -4.54 2 7 0 88 253.306 3
Mid Mid (pH 6-8) 0.78 3.71 -40.07 3 7 1 90 254.314 3

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

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