UCSF

ZINC34560355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 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) 4.31 13.42 -45.21 2 8 1 81 515.581 11
Hi High (pH 8-9.5) 4.31 11.22 -12.11 1 8 0 80 514.573 11

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

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