UCSF

ZINC37316415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.26 5.23 -49.78 3 5 1 62 272.328 3
Hi High (pH 8-9.5) 2.71 0.3 -49.77 1 5 -1 64 270.312 3
Mid Mid (pH 6-8) 2.26 2.94 -9.83 2 5 0 61 271.32 3

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

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