UCSF

ZINC67446713

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 23 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) 1.15 4.99 -47.57 4 8 1 96 318.405 6
Lo Low (pH 4.5-6) 1.15 5.29 -105.35 5 8 2 97 319.413 6

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

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