UCSF

ZINC45695254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.05 3.84 -52.98 3 4 1 70 249.334 7
Hi High (pH 8-9.5) 1.05 2.59 -7.88 2 4 0 65 248.326 7

Activity (Go SEA)

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