UCSF

ZINC61486726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 3.32 8.76 -37.09 2 3 1 33 280.461 5
Hi High (pH 8-9.5) 3.32 7.42 -6.71 1 3 0 28 279.453 5
Mid Mid (pH 6-8) 3.32 9.17 -86.06 3 3 2 34 281.469 5

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

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