UCSF

ZINC04945197

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 29 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) 3.85 15.7 -12.46 0 7 0 66 391.475 4
Mid Mid (pH 6-8) 3.85 16.17 -34.22 1 7 1 67 392.483 4

Activity (Go SEA)

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