UCSF

ZINC68870265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 20 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) 2.18 6.32 -9.14 1 4 0 41 271.364 4
Lo Low (pH 4.5-6) 2.18 6.93 -37.94 2 4 1 42 272.372 4

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

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