UCSF

ZINC02090249

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 28 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) 4.12 -0.67 -17.01 0 7 0 72 387.432 5
Mid Mid (pH 6-8) 4.12 0.04 -28.4 1 7 1 73 388.44 5

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

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