UCSF

ZINC17193056

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 21 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) 3.23 6.35 -11.38 2 4 0 62 275.311 1
Lo Low (pH 4.5-6) 3.47 6.21 -32.07 3 4 1 63 276.319 0
Lo Low (pH 4.5-6) 3.47 6.06 -31.92 3 4 1 63 276.319 0

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

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