UCSF

ZINC35367703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) 0.06 1.15 -38.59 3 7 1 84 286.381 3
Mid Mid (pH 6-8) 0.06 0.69 -11.82 2 7 0 83 285.373 3

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

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