UCSF

ZINC52855013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 1.82 7.94 -45.68 3 4 1 48 259.377 3
Hi High (pH 8-9.5) 1.82 5.76 -7.93 2 4 0 47 258.369 3
Lo Low (pH 4.5-6) 1.82 8.43 -96.98 4 4 2 50 260.385 3

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

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