UCSF

ZINC51331099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 19 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) 0.54 3.73 -33.97 1 6 -1 86 253.241 1
Mid Mid (pH 6-8) 0.14 5.1 -16.69 1 6 0 80 254.249 1

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

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