UCSF

ZINC39953735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 10 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) 0.44 -0.94 -7.46 4 3 0 69 156.21 1
Lo Low (pH 4.5-6) 0.44 -1.07 -33.29 5 3 1 71 157.218 1

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

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