UCSF

ZINC22697641

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 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) 2.32 9.2 -47.98 1 6 1 54 415.341 4
Hi High (pH 8-9.5) 2.32 6.99 -10.29 0 6 0 53 414.333 4

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

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