UCSF

ZINC36876568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.61 6.62 -37 3 3 1 45 264.299 2
Hi High (pH 8-9.5) 2.61 5.06 -4.87 2 3 0 41 263.291 2
Lo Low (pH 4.5-6) 2.61 7.11 -112.05 4 3 2 47 265.307 2

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

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