UCSF

ZINC42200167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 0.51 2.77 -6.29 0 4 0 36 284.157 1
Mid Mid (pH 6-8) 0.51 4.98 -45.1 1 4 1 38 285.165 1

Activity (Go SEA)

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