UCSF

ZINC70304131

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 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) 0.34 2.43 -119.87 3 6 2 73 266.345 6
Hi High (pH 8-9.5) 0.34 0.99 -40.86 2 6 1 69 265.337 6
Mid Mid (pH 6-8) 0.34 0.09 -46.6 2 6 1 72 265.337 6

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

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