UCSF

ZINC35565241

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 27 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) 0.83 -0.35 -39.16 6 8 1 124 407.553 7
Hi High (pH 8-9.5) 0.83 -3.12 -15.18 5 8 0 122 406.545 7

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

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