UCSF

ZINC64978438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 34 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) 1.21 10.15 -55.12 2 9 1 94 465.578 8
Hi High (pH 8-9.5) 1.21 7.78 -22.5 1 9 0 92 464.57 8

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

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