UCSF

ZINC06795176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 25 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) 4.38 12.28 -43.93 2 4 0 62 356.853 6
Mid Mid (pH 6-8) 4.38 10.91 -52.09 1 4 -1 57 355.845 6

Activity (Go SEA)

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