UCSF

ZINC54895808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) -0.21 2.19 -56.53 3 5 1 78 316.472 1
Mid Mid (pH 6-8) -0.21 1.87 -12.61 2 5 0 76 315.464 1
Lo Low (pH 4.5-6) -0.21 2.58 -115.18 4 5 2 79 317.48 1

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

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