UCSF

ZINC05849532

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 11 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) -1.32 0.1 -51.78 3 4 1 65 157.193 2
Mid Mid (pH 6-8) -1.32 -0.31 -13.12 2 4 0 63 156.185 2

Activity (Go SEA)

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