UCSF

ZINC05818310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 0.01 5.98 -41.83 3 5 0 85 257.293 2
Mid Mid (pH 6-8) 0.01 6.44 -70.01 4 5 1 87 258.301 2

Activity (Go SEA)

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