UCSF

ZINC22993209

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 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) 3.29 3.45 -21.21 3 6 0 95 380.853 5
Hi High (pH 8-9.5) 3.29 3.91 -47.7 2 6 -1 98 379.845 5
Hi High (pH 8-9.5) 3.29 3.52 -57.9 2 6 -1 98 379.845 5
Hi High (pH 8-9.5) 3.29 3.98 -106.45 1 6 -2 100 378.837 5

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

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