UCSF

ZINC52575394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 19 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) 2.02 9.42 -102.76 3 4 2 49 257.337 5
Mid Mid (pH 6-8) 2.02 8.9 -53.15 2 4 1 48 256.329 5

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

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