UCSF

ZINC55425487

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 29 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) 4.85 11.91 -33.22 2 5 1 53 389.523 5
Hi High (pH 8-9.5) 5.04 11.27 -13.93 1 5 0 48 388.515 6
Mid Mid (pH 6-8) 4.85 12.9 -83.98 3 5 2 55 390.531 5

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

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