UCSF

ZINC36098282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 4.61 11.02 -47.31 2 4 1 43 392.519 10
Hi High (pH 8-9.5) 4.61 8.97 -7.77 1 4 0 42 391.511 10

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

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