UCSF

ZINC22143972

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) -0.23 -1.07 -53.94 5 5 1 89 211.241 5
Hi High (pH 8-9.5) -0.23 -1.84 -54.15 3 5 -1 87 209.225 5
Mid Mid (pH 6-8) -0.23 -2.47 -16.36 4 5 0 85 210.233 5

Activity (Go SEA)

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