UCSF

ZINC42454832

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.90 6.49 -50.49 3 4 1 63 248.35 7
Mid Mid (pH 6-8) 1.90 4.42 -7.77 2 4 0 62 247.342 7

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Rings

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