UCSF

ZINC04910264

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 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) 1.86 10.4 -40.4 1 6 1 51 283.359 2
Mid Mid (pH 6-8) 1.86 8.15 -9.87 0 6 0 50 282.351 2

Activity (Go SEA)

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