UCSF

ZINC36127708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 0.85 4.57 -120.23 5 4 2 61 249.358 6
Hi High (pH 8-9.5) 0.85 4.2 -36.98 4 4 1 60 248.35 6
Hi High (pH 8-9.5) 0.85 2.67 -49.96 4 4 1 60 248.35 6

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

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