UCSF

ZINC17086526

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 28 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) 2.73 1.91 -44.48 1 8 -1 114 493.233 4
Hi High (pH 8-9.5) 2.73 2.85 -94.86 0 8 -2 117 492.225 4
Mid Mid (pH 6-8) 2.27 4.58 -11.92 2 8 0 111 494.241 4

Activity (Go SEA)

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