UCSF

ZINC04951248

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 19 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) 2.84 4.44 -17.27 1 7 0 108 299.333 3
Mid Mid (pH 6-8) 1.91 3.91 -44.89 0 7 -1 107 298.325 4

Activity (Go SEA)

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