UCSF

ZINC19996910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 No

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) 0.71 3.2 -46.96 1 8 -1 92 361.403 4
Lo Low (pH 4.5-6) 0.25 4.28 -12.12 2 8 0 89 362.411 4

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

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