UCSF

ZINC65164814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 15 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) 2.27 7.64 -37.11 1 2 1 14 208.325 7
Hi High (pH 8-9.5) 2.27 5.32 -3.06 0 2 0 12 207.317 7

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Rings

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