UCSF

ZINC69236734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 2.61 6.27 -28.86 3 4 1 51 286.399 6
Hi High (pH 8-9.5) 2.61 5.58 -8.14 2 4 0 50 285.391 6
Mid Mid (pH 6-8) 2.61 7.64 -111.83 4 4 2 56 287.407 6
Lo Low (pH 4.5-6) 2.61 6.92 -42.51 3 4 1 55 286.399 6

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

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