UCSF

ZINC54764983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) 1.31 6.23 -35.13 3 3 1 42 214.292 4
Mid Mid (pH 6-8) 1.31 5.74 -8.67 2 3 0 41 213.284 4
Lo Low (pH 4.5-6) 1.31 7.1 -50.44 3 3 1 45 214.292 4

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

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