UCSF

ZINC01825575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 40 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) 6.93 15.04 -56.33 3 8 1 106 536.608 9
Hi High (pH 8-9.5) 6.93 13.7 -12.74 2 8 0 101 535.6 9

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

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