UCSF

ZINC49567512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) 1.38 2.43 -40.97 3 4 1 49 269.409 6
Hi High (pH 8-9.5) 1.38 1.5 -3.84 2 4 0 45 268.401 6
Mid Mid (pH 6-8) 1.38 3.99 -34.16 3 4 1 46 269.409 6

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

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