UCSF

ZINC41720149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 4.69 8.47 -7.77 0 2 0 22 300.155 2
Lo Low (pH 4.5-6) 4.69 8.89 -29.5 1 2 1 23 301.163 2

Activity (Go SEA)

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