UCSF

ZINC05849377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 29 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) 3.80 2.03 -13.41 1 6 0 83 391.423 6
Mid Mid (pH 6-8) 3.22 1.84 -20.3 0 6 0 80 391.423 6

Activity (Go SEA)

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