UCSF

ZINC19474365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 1.97 5.48 -49.38 3 3 1 42 228.319 2
Mid Mid (pH 6-8) 1.97 5.92 -90.74 4 3 2 43 229.327 2

Activity (Go SEA)

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