UCSF

ZINC04790741

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 31 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) 3.78 10.79 -15.41 1 7 0 74 421.428 6
Mid Mid (pH 6-8) 3.78 11.23 -38.94 2 7 1 75 422.436 6

Activity (Go SEA)

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