UCSF

ZINC35622671

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 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) 8.04 13.84 -7.82 2 5 0 62 442.607 5
Mid Mid (pH 6-8) 8.04 14.21 -26.69 3 5 1 64 443.615 5

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

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