UCSF

ZINC34582505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) -0.16 -10.17 -18.99 8 11 0 201 422.342 2
Hi High (pH 8-9.5) -0.16 -9.28 -57.36 7 11 -1 204 421.334 2
Hi High (pH 8-9.5) -0.16 -9.25 -54.76 7 11 -1 204 421.334 2

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

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