UCSF

ZINC34290099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 21 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) -2.62 0.11 -67.61 6 7 0 133 291.307 6
Hi High (pH 8-9.5) -2.62 -0.16 -57.59 5 7 -1 131 290.299 6

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

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