UCSF

ZINC52453007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 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) 2.03 7.77 -93.9 3 3 2 34 301.525 6
Hi High (pH 8-9.5) 2.03 4.19 -5.31 1 3 0 28 299.509 6
Mid Mid (pH 6-8) 2.03 5.43 -36.2 2 3 1 33 300.517 6

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

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