UCSF

ZINC70337178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 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) 0.20 2.8 -95.96 5 5 2 70 274.368 4
Hi High (pH 8-9.5) 0.20 2.23 -9.12 3 5 0 67 272.352 4
Hi High (pH 8-9.5) 0.20 2.7 -28.58 4 5 1 69 273.36 4

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

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