UCSF

ZINC05060408

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 26 No

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) 2.58 5.31 -40.71 1 10 -1 150 360.302 8
Mid Mid (pH 6-8) 2.12 6.99 -24.39 2 10 0 147 361.31 8

Activity (Go SEA)

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