UCSF

ZINC45789230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 26 No

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) -2.77 0.01 -52.92 7 11 0 187 384.418 7
Hi High (pH 8-9.5) -2.77 -0.3 -53.84 6 11 -1 185 383.41 7

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

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