UCSF

ZINC38124779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 12 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) 1.05 2.54 -42.05 3 2 1 37 188.316 4
Hi High (pH 8-9.5) 1.05 1.28 -3.32 2 2 0 32 187.308 4

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

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