UCSF

ZINC05161759

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 16 Yes

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) 1.96 3.3 -23.59 5 3 1 66 210.26 0
Mid Mid (pH 6-8) 1.96 2.92 -9.77 4 3 0 65 209.252 0

Activity (Go SEA)

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