UCSF

ZINC63013394

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 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) 1.30 3.97 -7.97 3 5 0 63 270.336 3
Mid Mid (pH 6-8) 1.30 6.16 -41.41 4 5 1 65 271.344 3
Lo Low (pH 4.5-6) 1.30 6.64 -99.59 5 5 2 66 272.352 3
Lo Low (pH 4.5-6) 1.30 4.46 -32.35 4 5 1 65 271.344 3

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

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