UCSF

ZINC34823829

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 19 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) 2.92 8.77 -43.26 2 3 1 33 258.389 5
Mid Mid (pH 6-8) 2.92 9.22 -91.32 3 3 2 34 259.397 5

Activity (Go SEA)

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