UCSF

ZINC19319258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 14 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) 0.70 2.5 -39.64 1 3 1 21 190.27 1
Lo Low (pH 4.5-6) 0.70 2.94 -91.96 2 3 2 22 191.278 1

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

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