UCSF

ZINC16579721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 20 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) 2.01 0.4 -14.9 2 6 0 92 320.436 7
Hi High (pH 8-9.5) 2.01 0.48 -38.57 1 6 -1 94 319.428 7

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Rings

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