UCSF

ZINC69676126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 13 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) 2.08 4.14 -37.8 2 2 1 26 184.303 2
Hi High (pH 8-9.5) 2.08 3.12 -1.78 1 2 0 21 183.295 2

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

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