UCSF

ZINC37490533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 21 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) 1.19 3.39 -26.38 2 8 0 117 310.335 5
Hi High (pH 8-9.5) 1.01 2.92 -64.66 1 8 -1 116 309.327 6
Lo Low (pH 4.5-6) 1.19 3.44 -42.69 3 8 1 119 311.343 5

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

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