UCSF

ZINC52452947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 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) 1.72 7.59 -96.88 3 3 2 34 287.498 7
Hi High (pH 8-9.5) 1.72 3.9 -5.19 1 3 0 28 285.482 7
Mid Mid (pH 6-8) 1.72 5.26 -40.57 2 3 1 33 286.49 7

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

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