UCSF

ZINC11686941

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 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) 2.53 8.6 -7.95 1 2 0 29 212.296 2
Mid Mid (pH 6-8) 2.53 9.05 -33.31 2 2 1 30 213.304 2

Activity (Go SEA)

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