UCSF

ZINC05578642

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 30 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) 4.80 8.68 -35.57 3 6 1 78 403.458 6
Mid Mid (pH 6-8) 4.80 8.15 -12.04 2 6 0 77 402.45 6

Activity (Go SEA)

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