UCSF

ZINC36877919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 3.07 6.7 -45.94 4 3 1 56 264.352 3
Mid Mid (pH 6-8) 3.07 7.01 -30.49 4 3 1 56 264.352 3
Mid Mid (pH 6-8) 3.07 7.24 -7.86 3 3 0 55 263.344 3
Lo Low (pH 4.5-6) 3.07 7.32 -121.86 5 3 2 58 265.36 3

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

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