UCSF

ZINC05376474

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 28 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) 6.15 9.97 -10.14 1 5 0 64 396.512 7
Mid Mid (pH 6-8) 5.66 9.93 -44.34 0 5 -1 63 395.504 8
Lo Low (pH 4.5-6) 5.66 10.34 -16.49 1 5 0 60 396.512 8

Activity (Go SEA)

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