UCSF

ZINC05045098

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 25 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) 2.27 6.88 -67.72 0 6 -1 83 360.773 6
Mid Mid (pH 6-8) 2.72 6.36 -26.13 1 6 0 80 361.781 5
Mid Mid (pH 6-8) 1.69 7.75 -16.04 0 6 0 77 361.781 6

Activity (Go SEA)

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