UCSF

ZINC35622717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 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) 4.03 8.82 -37.07 5 6 0 113 436.552 4
Hi High (pH 8-9.5) 4.03 7.61 -56.24 4 6 -1 108 435.544 4

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

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