UCSF

ZINC70111679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 21 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) 2.98 11.31 -48.19 2 3 1 34 284.427 4
Hi High (pH 8-9.5) 2.98 10.33 -5.58 1 3 0 30 283.419 4
Lo Low (pH 4.5-6) 2.98 11.82 -87.63 3 3 2 36 285.435 4

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

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