UCSF

ZINC69794905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 0.70 1.21 -11.8 1 5 0 64 224.289 4
Mid Mid (pH 6-8) 0.70 2.57 -55.41 2 5 1 68 225.297 4

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

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