UCSF

ZINC49509215

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) 1.70 4.33 -6.49 1 5 0 50 264.373 5
Mid Mid (pH 6-8) 1.70 6.63 -42.5 2 5 1 51 265.381 5
Mid Mid (pH 6-8) 1.70 4.99 -29.09 2 5 1 52 265.381 5
Lo Low (pH 4.5-6) 1.70 7.27 -88.83 3 5 2 53 266.389 5

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

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