UCSF

ZINC98369409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2015 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) 3.94 8.91 -62.19 3 7 -1 110 426.603 16
Lo Low (pH 4.5-6) 3.94 6.93 -23.7 4 7 0 108 427.611 16

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

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