UCSF

ZINC36874090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.89 4.54 -37.59 3 5 1 64 274.344 4
Hi High (pH 8-9.5) 1.89 3.18 -9.35 2 5 0 59 273.336 4
Lo Low (pH 4.5-6) 1.89 4.96 -103.93 4 5 2 65 275.352 4

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

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