UCSF

ZINC34866342

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 3.55 9.53 -45.55 2 4 1 47 386.274 5
Mid Mid (pH 6-8) 3.55 7.29 -7.91 1 4 0 45 385.266 5

Activity (Go SEA)

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