UCSF

ZINC59819512

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 33 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) 6.15 14.99 -55.87 0 5 -1 67 437.519 3
Lo Low (pH 4.5-6) 6.15 15.44 -82.64 1 5 0 68 438.527 3

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

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