UCSF

ZINC20129659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 3.65 7.11 -50.73 3 3 1 46 349.248 4
Hi High (pH 8-9.5) 3.65 5.83 -7.95 2 3 0 41 348.24 4
Hi High (pH 8-9.5) 3.65 6.59 -46.61 1 3 -1 44 347.232 4
Mid Mid (pH 6-8) 3.65 7.87 -62.91 2 3 0 49 348.24 4

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

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