UCSF

ZINC05154682

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 27 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) 4.65 6.25 -45.6 1 6 -1 91 399.883 6
Mid Mid (pH 6-8) 4.19 6.39 -33.32 2 6 0 88 400.891 6

Activity (Go SEA)

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