UCSF

ZINC05864801

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 2.94 0.19 -13.82 1 7 0 89 411.454 8
Mid Mid (pH 6-8) 2.36 0.1 -21.36 0 7 0 86 411.454 8

Activity (Go SEA)

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