UCSF

ZINC49509213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 19 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) 1.71 4.62 -6.08 1 5 0 50 264.373 6
Mid Mid (pH 6-8) 1.71 5 -30.6 2 5 1 52 265.381 6
Mid Mid (pH 6-8) 1.71 6.96 -41.94 2 5 1 51 265.381 6
Lo Low (pH 4.5-6) 1.71 7.34 -89.93 3 5 2 53 266.389 6

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

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