UCSF

ZINC06385197

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 16 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) 1.35 0.83 -15.41 2 5 0 80 219.196 2
Hi High (pH 8-9.5) 1.35 1.63 -51.03 1 5 -1 82 218.188 2
Hi High (pH 8-9.5) 1.35 1.78 -36.26 1 5 -1 82 218.188 2

Activity (Go SEA)

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