UCSF

ZINC04949116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 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) 2.43 6.39 -53.03 1 6 -1 88 320.365 7
Lo Low (pH 4.5-6) 2.43 4.39 -9.41 2 6 0 85 321.373 7

Activity (Go SEA)

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