UCSF

ZINC26378851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 29 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) 0.42 9.02 -86.72 2 6 0 82 405.445 3
Mid Mid (pH 6-8) -2.33 7.93 -87.75 3 6 1 85 406.453 2

Activity (Go SEA)

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