UCSF

ZINC36334164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 No

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) 1.78 4.95 -7.11 0 3 0 24 230.311 2
Mid Mid (pH 6-8) 1.78 7.29 -45.93 1 3 1 25 231.319 2

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

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