UCSF

ZINC39315678

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 1.15 0.33 -6.93 1 5 0 60 163.136 0
Hi High (pH 8-9.5) 1.15 0.18 -36.52 0 5 -1 58 162.128 0

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

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