UCSF

ZINC61408170

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 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) -0.39 8.19 -40.88 2 6 0 87 278.337 6
Hi High (pH 8-9.5) -0.39 7.29 -58.95 1 6 -1 82 277.329 6

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

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