UCSF

ZINC71497982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 24 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) 2.90 9.52 -11.42 0 6 0 70 323.4 4
Mid Mid (pH 6-8) 2.90 10.08 -33.74 1 6 1 71 324.408 4

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

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