UCSF

ZINC70088959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 1.38 3.68 -14.34 3 6 0 90 261.672 2
Mid Mid (pH 6-8) 1.38 3.18 -43.73 2 6 -1 88 260.664 2

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

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