UCSF

ZINC56696299

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 20 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) 2.01 6.69 -12.15 1 5 0 48 290.392 5
Hi High (pH 8-9.5) 2.19 4.72 -46.62 0 5 -1 54 289.384 5
Lo Low (pH 4.5-6) 2.01 6.79 -29.59 2 5 0 49 291.4 5

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

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