UCSF

ZINC60485342

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 25 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) 0.26 4.47 -49.09 3 8 1 102 349.411 5
Hi High (pH 8-9.5) 0.72 0.69 -54.11 1 8 -1 104 347.395 5
Mid Mid (pH 6-8) 0.72 2.84 -68.32 2 8 0 105 348.403 5

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

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