UCSF

ZINC70298569

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) 1.13 6.05 -38.34 3 4 1 49 265.425 3
Hi High (pH 8-9.5) 1.13 6.01 -5.72 2 4 0 47 264.417 3
Lo Low (pH 4.5-6) 1.13 6.58 -110.37 4 4 2 50 266.433 3
Lo Low (pH 4.5-6) 1.13 6.72 -33.21 3 4 1 48 265.425 3

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

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