UCSF

ZINC06420794

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 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) 3.16 7.38 -13.57 2 6 0 91 403.434 6
Mid Mid (pH 6-8) 2.57 8.11 -18.44 1 6 0 88 403.434 6

Activity (Go SEA)

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