UCSF

ZINC36872524

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) 1.23 6.33 -51.07 4 3 1 56 252.341 3
Hi High (pH 8-9.5) 1.23 6.57 -8.83 3 3 0 55 251.333 3
Lo Low (pH 4.5-6) 1.23 6.72 -119.53 5 3 2 58 253.349 3

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

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