UCSF

ZINC69491275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 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) 0.58 5.94 -20.34 0 6 0 78 301.394 6
Lo Low (pH 4.5-6) 0.58 7.97 -66.49 1 6 1 79 302.402 6

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

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