UCSF

ZINC37100838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.82 6.38 -32.1 3 3 1 46 266.405 6
Hi High (pH 8-9.5) 3.82 7.29 -31.5 2 3 0 49 265.397 6

Activity (Go SEA)

Rings

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