UCSF

ZINC64979034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 32 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) 2.19 7.02 -79.39 2 9 -1 118 442.471 8
Mid Mid (pH 6-8) 2.19 7.48 -74.42 3 9 0 119 443.479 8

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

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