UCSF

ZINC69987337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 No

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) -0.41 2.68 -48.06 0 5 -1 79 241.292 5
Lo Low (pH 4.5-6) -0.41 0.7 -13.96 1 5 0 76 242.3 5

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

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