UCSF

ZINC68948282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 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) 1.19 3.14 -39.46 4 5 1 68 228.345 6
Hi High (pH 8-9.5) 1.19 1.04 -7.32 3 5 0 67 227.337 6
Lo Low (pH 4.5-6) 1.19 2.97 -117.63 5 5 2 70 229.353 6

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

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