UCSF

ZINC65497504

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 18 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) 0.99 4.81 -34.97 3 5 1 58 244.322 2
Hi High (pH 8-9.5) 0.99 4.33 -10.03 2 5 0 57 243.314 2
Mid Mid (pH 6-8) 0.99 5.15 -81.53 4 5 2 59 245.33 2
Mid Mid (pH 6-8) 0.99 4.63 -27.04 3 5 1 58 244.322 2

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

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