UCSF

ZINC69777957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 0.67 7.45 -21.67 0 6 0 51 348.369 7
Mid Mid (pH 6-8) 0.67 7.89 -39.98 1 6 1 52 349.377 7
Lo Low (pH 4.5-6) 0.67 9.64 -116.24 2 6 2 53 350.385 7
Lo Low (pH 4.5-6) 0.67 9.26 -54.87 1 6 1 52 349.377 7

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

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