UCSF

ZINC34677293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 25 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) 1.77 1.33 -44.22 3 7 1 83 353.487 10
Mid Mid (pH 6-8) 1.77 -0.96 -8.43 2 7 0 82 352.479 10
Lo Low (pH 4.5-6) 1.77 1.31 -43.21 3 7 1 83 353.487 10

Activity (Go SEA)

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