UCSF

ZINC34894378

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 30 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) 5.76 13.64 -52.5 1 4 -1 59 399.445 3
Lo Low (pH 4.5-6) 5.76 14.39 -80.24 2 4 0 60 400.453 3

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

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