UCSF

ZINC48383585

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 23 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) 2.47 8.78 -57.49 1 6 -1 96 320.296 5
Lo Low (pH 4.5-6) 2.47 6.94 -12 2 6 0 93 321.304 5

Activity (Go SEA)

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