UCSF

ZINC62839266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 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) 0.43 -1.22 -65.83 4 7 0 118 329.403 6
Hi High (pH 8-9.5) 0.43 -1.66 -43.5 3 7 -1 116 328.395 6
Lo Low (pH 4.5-6) 0.43 -1.35 -53.36 5 7 1 116 330.411 6

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

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