UCSF

ZINC37210146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.99 5.68 -100.32 3 4 2 34 285.476 7
Hi High (pH 8-9.5) 1.99 4.68 -33.35 2 4 1 29 284.468 7
Lo Low (pH 4.5-6) 1.99 7.95 -192.14 4 4 3 35 286.484 7

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

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