UCSF

ZINC49568067

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 0.44 2.09 -37.95 3 4 1 49 238.355 4
Hi High (pH 8-9.5) 0.44 0.99 -7.94 2 4 0 44 237.347 4
Mid Mid (pH 6-8) 0.44 3.5 -37.34 3 4 1 46 238.355 4

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

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