UCSF

ZINC49551642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 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) 2.52 4.16 -57.43 2 6 -1 102 341.368 4
Ref Reference (pH 7) 2.34 6.73 -58.66 2 6 -1 98 341.368 4

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

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