UCSF

ZINC09761117

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 39 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) 4.99 11.42 -20.43 2 8 0 94 524.621 9
Mid Mid (pH 6-8) 5.45 13.35 -125.08 0 8 -2 100 522.605 9

Activity (Go SEA)

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