UCSF

ZINC61378161

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 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) 0.30 4.24 -39.08 2 6 1 63 298.407 8
Hi High (pH 8-9.5) 0.30 1.81 -7.54 1 6 0 62 297.399 8
Mid Mid (pH 6-8) 0.30 3.06 -50.46 2 6 1 66 298.407 8

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

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