UCSF

ZINC38535653

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.92 -6.45 -106.48 4 12 -2 192 371.331 5
Lo Low (pH 4.5-6) -1.92 -6.45 -56.62 5 12 -1 195 372.339 5

Activity (Go SEA)

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