UCSF

ZINC05217558

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 14 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) 0.67 6.82 -126.97 0 4 -2 80 194.186 3
Mid Mid (pH 6-8) 0.67 4.83 -53.78 1 4 -1 77 195.194 3
Mid Mid (pH 6-8) 0.67 5.07 -43.54 1 4 -1 77 195.194 3

Activity (Go SEA)

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