UCSF

ZINC59834906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 12 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) 0.80 0.4 -43.46 0 5 -1 67 161.144 1
Lo Low (pH 4.5-6) 0.34 2.09 -8.24 1 5 0 64 162.152 1

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

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