UCSF

ZINC71779932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2011 13 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) 1.65 4.93 -9.52 0 3 0 31 238.088 1
Lo Low (pH 4.5-6) 1.65 5.19 -29.3 1 3 1 32 239.096 1

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

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