UCSF

ZINC05728296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 30 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) 1.84 3.26 -64.59 1 8 -1 108 412.418 8
Mid Mid (pH 6-8) 2.29 -2.28 -26.39 2 8 0 105 413.426 7
Mid Mid (pH 6-8) 1.26 -2 -17.42 1 8 0 102 413.426 8

Activity (Go SEA)

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