UCSF

ZINC52374221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 21 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) 2.31 9.29 -95.76 3 3 2 34 303.475 6
Hi High (pH 8-9.5) 2.31 5.31 -5.83 1 3 0 28 301.459 6
Hi High (pH 8-9.5) 2.31 8.07 -35.88 2 3 1 29 302.467 6

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

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