UCSF

ZINC05940292

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 26 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) 4.22 4.57 -47.62 1 6 -1 94 395.526 10
Mid Mid (pH 6-8) 4.22 4.52 -14.73 2 6 0 92 396.534 10

Activity (Go SEA)

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