UCSF

ZINC66216321

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 17 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) 2.86 8.95 -34.89 1 3 1 25 241.399 6
Hi High (pH 8-9.5) 2.86 6.92 -7.04 0 3 0 24 240.391 6

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Rings

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