UCSF

ZINC37180522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 0.70 6.16 -106.57 3 3 2 36 181.283 4
Hi High (pH 8-9.5) 0.70 4.34 -7.27 1 3 0 30 179.267 4
Mid Mid (pH 6-8) 0.70 5.71 -41.9 2 3 1 34 180.275 4

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

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