UCSF

ZINC27712416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 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) -0.57 1.22 -99.66 7 4 2 84 237.347 7
Hi High (pH 8-9.5) -0.57 0.92 -51.78 6 4 1 83 236.339 7

Activity (Go SEA)

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