UCSF

ZINC36123668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 4.91 8.96 -8.62 0 4 0 38 353.853 3
Mid Mid (pH 6-8) 4.91 11.15 -42.87 1 4 1 39 354.861 3

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

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