UCSF

ZINC05376532

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 29 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) 6.53 10.89 -9.97 1 5 0 64 410.539 8
Mid Mid (pH 6-8) 6.04 10.84 -44.21 0 5 -1 63 409.531 9
Lo Low (pH 4.5-6) 6.04 11.26 -16.37 1 5 0 60 410.539 9

Activity (Go SEA)

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