UCSF

ZINC42477643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.34 -1.83 -53.57 6 6 1 117 286.377 6
Hi High (pH 8-9.5) -0.34 -2.18 -16.22 5 6 0 115 285.369 6

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Rings

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