UCSF

ZINC70005512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 15 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) 0.06 1.28 -46.93 2 4 1 56 228.341 5
Hi High (pH 8-9.5) 0.06 -0.07 -8.83 1 4 0 51 227.333 5

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

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